<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">354482</id>
  <title nil="true"/>
  <common-name>(2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate</common-name>
  <description>(2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate is a chemical compound with the formula C37H60NO4+. With an average molecular weight of 582.90 g/mol, (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>129307</pubchem-id>
  <chemical-formula>C37H60NO4+</chemical-formula>
  <weight>582.9</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-31T22:02:43Z</created-at>
  <updated-at type="dateTime">2026-08-31T22:02:43Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCCCCCCCCCCCCCC1(OCC(O1)COC(=O)CCCCC[N+]2=CC=CC3=CC=CC=C32)C</moldb-smiles>
  <moldb-formula>C37H60NO4+</moldb-formula>
  <moldb-inchi>InChI=1S/C37H60NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-37(2)41-32-34(42-37)31-40-36(39)27-18-17-22-29-38-30-23-25-33-24-19-20-26-35(33)38/h19-20,23-26,30,34H,3-18,21-22,27-29,31-32H2,1-2H3/q+1</moldb-inchi>
  <moldb-inchikey>VKTOECBYXGEXFT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">582.4522344</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>11.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM350375</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>(2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Quinolines and derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0304764</sync-id>
  <structure-inchikey>VKTOECBYXGEXFT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000080c00000080000000010000000000000000000000000020040000002000000000001000000000000000000000000000001000000000000000000000000000100010000000000000020810004000108000001000000000000000030010000000000000000008000000000020000080000000100001000500000000048020001800000000000810000000000000100000000000000001020000000000000000000000000082101000000000008000000000000000000000020000008000000000000000000000000000002000000010000000200000000000040000000800001000240000000010410000000000000000000002000000000</structure-fingerprint>
  <structure-pattern-fingerprint>5210802005128e40990019508138a2000800140081052060003d2042822089cc64022010128000000000412802800000046002a4408c32210166647100a04002c6110c011ed0140000901030007203000005059051011a3340000462540049000c28052f0048022160480400d5b40044208680700105e1041119282802510012504c08084ef0820808060250cb2c0008391c181244409c0b700c0820604080a4004310130090c03002040960017d3d104ac000018941084818804a1048c04210800000a40488023301800400550102980c000000020050200d60020408000304901049100889030013000011591320260050003080c2840e4000110070000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������*���,���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`������� ������ ������`�������`������� ������`�������(�������(�������(�������`�������`�������`�������`�������`������`*�������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@(�������`�������������������������������	�	
�
�������������������������������������� ��(�������������������� h� !h�!"h�"#h�#$h�$%h�%&amp;h�&amp;'h�'(h��)����(�h�(#h�B����������� !"#(��$%&amp;'(#����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:52:25Z</structure-indexed-at>
</compound>
