349954 <common-name>Decyl 2-[1-[(z)-3-chloro-4-(2,4-dimethylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate</common-name> <description>Decyl 2-[1-[(z)-3-chloro-4-(2,4-dimethylphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate is a compound with the formula C29H47ClNO2+. It has an average molecular weight of 477.10 g/mol.</description> <cas nil="true"/> <pubchem-id>6912227</pubchem-id> <chemical-formula>C29H47ClNO2+</chemical-formula> <weight>477.1</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">2026-08-31T14:46:21Z</created-at> <updated-at type="dateTime">2026-08-31T14:46:21Z</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>CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)CC=C(CC2=C(C=C(C=C2)C)C)Cl</moldb-smiles> <moldb-formula>C29H47ClNO2+</moldb-formula> <moldb-inchi>InChI=1S/C29H47ClNO2/c1-4-5-6-7-8-9-10-14-21-33-29(32)24-31(18-12-11-13-19-31)20-17-28(30)23-27-16-15-25(2)22-26(27)3/h15-17,22H,4-14,18-21,23-24H2,1-3H3/q+1/b28-17-</moldb-inchi> <moldb-inchikey>LENYDVRMXPESHC-QRQIAZFYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">476.3295324</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>9.1</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>CHEM345847</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>Decyl 2-[1-[(z)-3-chloro-4-(2,4-dimethylphenyl)but-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>CED0300277</sync-id> <structure-inchikey>LENYDVRMXPESHC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200400000000000000008000000000000000100000000000000800000010000000000000020002000400000000000000000000000020000000400101000000000000000000000000000100000000002000a0000000000300400000001000000000000020010000000000000000100000000000020000000000000000000004000820000040010000000000000000010000000000000000000000000040000000000800000000000004000100082100000000000008000000000000000000200000000000000000010000000200004000000010000000002002042200000000000000000140000000000040100000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAhAAAAIgAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAA AAACAgYAYAAAAAICBgBgAAAAAgIIACgAAAADAgYAKAAAAAMECAAoAAAAAwIG AGAAAAACAgcgIgAAAAEEBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAA AgIGAGAAAAACAgYAYAAAAAICBgBoAAAAAwMBBgAoAAAAAwQGAGAAAAACAgZA KAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAA AAMDAQYAYAAAAAEDBgBgAAAAAQMRACAAAAABCwABAAECAAIDAAMEAAQFAAUG AAYHAAcIAAgJAAkKAAoLIAsMKAILDQANDgAODwAPEAAQEQAREgASEwAOFAAU FQAVFggCFhcAFxgAGBloDBkaaAwaG2gMGxxoDBwdaAwbHgAZHwAWIAATDgAd GGgMQgIAAAAGDxAREhMOBhkaGxwdGBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:47:59Z</structure-indexed-at> </compound>