<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">319929</id>
  <title nil="true"/>
  <common-name>2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-trimethylazanium</common-name>
  <description>2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-trimethylazanium is a compound with the formula C19H30NO2+ and an average molecular weight of 304.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>200650</pubchem-id>
  <chemical-formula>C19H30NO2+</chemical-formula>
  <weight>304.4</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">2026-08-29T18:39:23Z</created-at>
  <updated-at type="dateTime">2026-08-29T18:39:23Z</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>C[N+](C)(C)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2</moldb-smiles>
  <moldb-formula>C19H30NO2+</moldb-formula>
  <moldb-inchi>InChI=1S/C19H30NO2/c1-20(2,3)14-15-22-19(21)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17-18H,5,8-9,12-15H2,1-3H3/q+1</moldb-inchi>
  <moldb-inchikey>RFWBVZUVAAVCSI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">304.2276542</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.5</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>CHEM315822</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-(2-cyclohexyl-2-phenylacetyl)oxyethyl-trimethylazanium</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>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Quaternary ammonium salts</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0270686</sync-id>
  <structure-inchikey>RFWBVZUVAAVCSI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>60040000000000000000800000000000000010000000000000000000000000000000000000000001000000000000000004000002000800000000000000000000000000000000000000000008000008000020000000000100000000000000000000000000010000200000000000000020000040020000000000000000000001100820000040000000800000000000000000000000000100000000000000000000000000000404000000008400080000000000000000000000008000000000000000000000000410000000000020000000000000000000000000000200000000000000000000000000000040000000000400000000000000200000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������ "�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@h��������������������������� ��(��	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:25:14Z</structure-indexed-at>
</compound>
