<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">101976</id>
  <title nil="true"/>
  <common-name>1-(2-Aminoethyl)-3-ethyl-2-heptadecyl-4,5-dihydro-1H-imidazolium ethyl sulphate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>57356074</pubchem-id>
  <chemical-formula>C24H51N3</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-05T09:04:14Z</created-at>
  <updated-at type="dateTime">2026-04-05T09:04:14Z</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>CCOS([O-])(=O)=O.CCCCCCCCCCCCCCCCCC1=[N+](CC)CCN1CCN</moldb-smiles>
  <moldb-formula>C24H51N3</moldb-formula>
  <moldb-inchi>InChI=1/C24H51N3.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-26(4-2)22-23-27(24)21-20-25;1-2-6-7(3,4)5/h24H,3-23,25H2,1-2H3;2H2,1H3,(H,3,4,5)</moldb-inchi>
  <moldb-inchikey>VCLDEDWOLBDO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">505.8</moldb-average-mass>
  <moldb-mono-mass type="decimal">381.4082986</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM097869</chemdb-id>
  <dsstox-id>DTXSID20917969</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00065335</susdat-id>
  <iupac nil="true"/>
  <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 acids and derivatives</superklass>
  <klass>Organic sulfuric acids and derivatives</klass>
  <subklass>Sulfuric acid esters</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0113136</sync-id>
  <structure-inchikey>KDUXGBKWPRUDFR-UHFFFAOYSA-M</structure-inchikey>
  <structure-fingerprint>20000000000801000000000040000000008040000000000040000000000000002000000000000020000000000000000000000000001000000000000000000000000000000010000000002000020000000000110001000000000000000000020000000000000000000000000000000020100000000000400020000100004001040000000400000000000014000001000800000000000021000000000000100040000000000000000080000000000006008004000088000000000000000000000000000000000000000000000000000000000000000000000000080000000000000008000000000000000010000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������"���!���€���`�������`������� ������ ����� "���ÿ���(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(������ *��������`�������`�������`�������`�������(�������`�������`�������`������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:40:10Z</structure-indexed-at>
</compound>
