98794 <common-name>7-Chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>21125069</pubchem-id> <chemical-formula>C12H13ClN</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">2026-04-05T06:22:38Z</created-at> <updated-at type="dateTime">2026-04-05T06:22:38Z</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>CC1=CC=C(C=C1)S([O-])(=O)=O.CC[N+]1=C2C=C(Cl)C=CC2=C(C)C=C1</moldb-smiles> <moldb-formula>C12H13ClN</moldb-formula> <moldb-inchi>InChI=1/C12H13ClN.C7H8O3S/c1-3-14-7-6-9(2)11-5-4-10(13)8-12(11)14;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1</moldb-inchi> <moldb-inchikey>SWDCPEYCWOLTDT-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">377.88</moldb-average-mass> <moldb-mono-mass type="decimal">206.0736521</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>CHEM094687</chemdb-id> <dsstox-id>DTXSID40887716</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00061422</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>Organoheterocyclic compounds</superklass> <klass>Quinolines and derivatives</klass> <subklass>Haloquinolines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0182234</sync-id> <structure-inchikey>SWDCPEYCWOLTDT-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>20000000000000800000000000000000000400000000000080001000000000000002000001000001020000000000000000000000000001000000000000000000040000400000000000000000000020000000000000001000000000000000000000000081100000800000180000000000000000000000000000001000000000000040000000000000000000000000000000100000000000000000000000000010040000000000040000080100000000000000000000080000000000000000000000000000000000000000000000000010000000002004000200000080000000000100000000000040000000100080000100000400020000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@h�������@(������@h�������@h�������� ����� "���ÿ���(�������(�������`�������`������`*�������@(������@h�������@(������� �����@h�������@h�������@(������@(�������`������@h�������@h������������h���h���h���h���h�������� ��� ������ � �h���h���h������h���h���h���h������h���h���h�� h���h�B������������ ����������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:38:23Z</structure-indexed-at> </compound>