<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356190</id>
  <title nil="true"/>
  <common-name>10-[diethyl-[6-(triethylazaniumyl)hexyl]azaniumyl]decyl-diethyl-[6-(triethylazaniumyl)hexyl]azanium</common-name>
  <description>10-[diethyl-[6-(triethylazaniumyl)hexyl]azaniumyl]decyl-diethyl-[6-(triethylazaniumyl)hexyl]azanium is a compound with the formula C42H94N4+4. With an average molecular weight of 655.20 g/mol, 10-[diethyl-[6-(triethylazaniumyl)hexyl]azaniumyl]decyl-diethyl-[6-(triethylazaniumyl)hexyl]azanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>53998</pubchem-id>
  <chemical-formula>C42H94N4+4</chemical-formula>
  <weight>655.2</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">2026-09-01T01:26:43Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:26:43Z</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>CC[N+](CC)(CC)CCCCCC[N+](CC)(CC)CCCCCCCCCC[N+](CC)(CC)CCCCCC[N+](CC)(CC)CC</moldb-smiles>
  <moldb-formula>C42H94N4+4</moldb-formula>
  <moldb-inchi>InChI=1S/C42H94N4/c1-11-43(12-2,13-3)37-31-27-29-35-41-45(17-7,18-8)39-33-25-23-21-22-24-26-34-40-46(19-9,20-10)42-36-30-28-32-38-44(14-4,15-5)16-6/h11-42H2,1-10H3/q+4</moldb-inchi>
  <moldb-inchikey>FFKUKGMWKVBKPS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">654.747849</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>10.6</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>CHEM352083</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>10-[diethyl-[6-(triethylazaniumyl)hexyl]azaniumyl]decyl-diethyl-[6-(triethylazaniumyl)hexyl]azanium</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>CED0306440</sync-id>
  <structure-inchikey>FFKUKGMWKVBKPS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000c00000000000000000000000000000000000000000002000000000000000000000000000002100000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000010000000000000000000000000000040000000000000000000000000000000000040000000000000000000010000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������.���-���€���`�������`������ "�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`������ "�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`������ "�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`������ "�������`�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:54:01Z</structure-indexed-at>
</compound>
