337398 <common-name>Pentyl 2-[1-[(e)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate</common-name> <description>Pentyl 2-[1-[(e)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate is a compound with the formula C23H35ClNO2+. It has an average molecular weight of 393.00 g/mol.</description> <cas nil="true"/> <pubchem-id>6446590</pubchem-id> <chemical-formula>C23H35ClNO2+</chemical-formula> <weight>393</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">2026-08-30T20:13:14Z</created-at> <updated-at type="dateTime">2026-08-30T20:13:14Z</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>CCCCCOC(=O)C[N+]1(CCCCC1)CC=C(C)CC2=CC=CC=C2Cl</moldb-smiles> <moldb-formula>C23H35ClNO2+</moldb-formula> <moldb-inchi>InChI=1S/C23H35ClNO2/c1-3-4-10-17-27-23(26)19-25(14-8-5-9-15-25)16-13-20(2)18-21-11-6-7-12-22(21)24/h6-7,11-13H,3-5,8-10,14-19H2,1-2H3/q+1/b20-13+</moldb-inchi> <moldb-inchikey>COYFJEUDBUQXPD-DEDYPNTBSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">392.2356321</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.5</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>CHEM333291</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>Pentyl 2-[1-[(e)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate</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 acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0287838</sync-id> <structure-inchikey>COYFJEUDBUQXPD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200400000000000000008000000000000000100000000000000000000000000000000000030000000400000000020000000000000020000000400001000000000000000000004000000110000000802000a0000000000300400000000000000000000020010000000000100000000000000000020000000000020000000000400820000040000000800000000000000080000000000100000000000040000000000000000000000004000000082000000000000008000000000000000000200000000000000000050000000200000000000010000000200002002200000000000000000040000000000040100000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������(�������(�������(�������`������ "�������`�������`�������`�������`�������`�������`�������h��������(�������`�������`������@(������@h�������@h�������@h�������@h�������@(������� ���������������������� ��(����� � � ������ � �� ��������������������h���h���h���h���h����� ���h�B����� �� � �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:38:32Z</structure-indexed-at> </compound>