<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">324935</id>
  <title nil="true"/>
  <common-name>Ethyl-[3-[[4-[3-[ethyl(dimethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-dimethylazanium</common-name>
  <description>Ethyl-[3-[[4-[3-[ethyl(dimethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-dimethylazanium is a chemical compound with the formula C20H38N4O2+2. It has an average molecular weight of 366.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>52121</pubchem-id>
  <chemical-formula>C20H38N4O2+2</chemical-formula>
  <weight>366.5</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">2026-08-30T02:27:40Z</created-at>
  <updated-at type="dateTime">2026-08-30T02:27:40Z</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>CC[N+](C)(C)CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](C)(C)CC</moldb-smiles>
  <moldb-formula>C20H38N4O2+2</moldb-formula>
  <moldb-inchi>InChI=1S/C20H36N4O2/c1-7-23(3,4)13-9-11-21-17-15-20(26)18(16-19(17)25)22-12-10-14-24(5,6)8-2/h15-16H,7-14H2,1-6H3/p+2</moldb-inchi>
  <moldb-inchikey>FBDOYHXEHWBVTG-UHFFFAOYSA-P</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">366.2994765</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2</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>CHEM320828</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>Ethyl-[3-[[4-[3-[ethyl(dimethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-dimethylazanium</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 oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0275580</sync-id>
  <structure-inchikey>FBDOYHXEHWBVTG-UHFFFAOYSA-P</structure-inchikey>
  <structure-fingerprint>20000000000880000000800000000000000000000000000000000000000000002000020000000000000000000000002000000000000000000000000000000000000000000000000000008080020001000000000000000000010000000000000000000010000000000000000000040000000001000000000010000000000000040000000000000000000000080100000000080000000000810000010000000000000000000000000080000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000010000000000000008000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������ "�������`�������`�������`�������`�������`�������h��������(�������h��������(�������(�������(�������h��������(�������(�������h��������`�������`�������`������ "�������`�������`�������`�������`�������������������������������	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:28:57Z</structure-indexed-at>
</compound>
