<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">313405</id>
  <title nil="true"/>
  <common-name>(ne)-n-[[1-[6-[2-[(e)-hydroxyiminomethyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine</common-name>
  <description>(ne)-n-[[1-[6-[2-[(e)-hydroxyiminomethyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine is a compound with the formula C18H24N4O2+2. It has an average molecular weight of 328.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>135533098</pubchem-id>
  <chemical-formula>C18H24N4O2+2</chemical-formula>
  <weight>328.4</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">2026-08-29T10:10:36Z</created-at>
  <updated-at type="dateTime">2026-08-29T10:10:36Z</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>C1=CC=[N+](C(=C1)C=NO)CCCCCC[N+]2=CC=CC=C2C=NO</moldb-smiles>
  <moldb-formula>C18H24N4O2+2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H22N4O2/c23-19-15-17-9-3-7-13-21(17)11-5-1-2-6-12-22-14-8-4-10-18(22)16-20-24/h3-4,7-10,13-16H,1-2,5-6,11-12H2/p+2</moldb-inchi>
  <moldb-inchikey>AZBNAGGNLZHEDV-UHFFFAOYSA-P</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">328.189926</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.1</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>CHEM309298</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>(ne)-n-[[1-[6-[2-[(e)-hydroxyiminomethyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine</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>Pyridines and derivatives</klass>
  <subklass>Hydropyridines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0264314</sync-id>
  <structure-inchikey>AZBNAGGNLZHEDV-UHFFFAOYSA-P</structure-inchikey>
  <structure-fingerprint>20000000000000800000000000000000000000000000000000004800000000000000000000000001000000000000000000200000000001000000000000000000000000000100000000000000000000010000000200000405000000000000000000010000000000000080000000000000000000080000000000001000000000000000800000800000000000010000000000000100000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000300000000000000000000000000000040000000011000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>403080000112024000000900010820000080040004052000003500620200010c5002201000800000000041080280000004200024408c30010020643000a00000c6110c00020000000090100011720000000501905201003240000422000040000c2005040840020000400400d5140200200080700909c004113808000251000a124800080ee0800808021240082c0008111c0812440015020040080000400020004310000010c00000000840016c25100ac00000884108401000020008c002100000008404000a32018000000421028000000000024240000d0002000800020000100800000902040000001040032000001000308042000e0000000070000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@h�������`*�������@(������@h��������h��������(�������h��������`�������`�������`�������`�������`�������`������`*�������@h�������@h�������@h�������@h�������@(�������h��������(�������h���������h���h���h���h���h��� ��(��� �	�	
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��������������h���h���h���h���h��� ��(��� ��h���h�B����������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:20:07Z</structure-indexed-at>
</compound>
