307977 <common-name>[3-[2-(1-methylpyridin-1-ium-2-yl)ethyl]phenyl] n,n-dimethylcarbamate</common-name> <description>[3-[2-(1-methylpyridin-1-ium-2-yl)ethyl]phenyl] n,n-dimethylcarbamate belongs to the phenoxy compounds, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C17H21N2O2+ and an average molecular weight of 285.36 g/mol.</description> <cas nil="true"/> <pubchem-id>3048448</pubchem-id> <chemical-formula>C17H21N2O2+</chemical-formula> <weight>285.36</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">2026-08-29T02:16:07Z</created-at> <updated-at type="dateTime">2026-08-29T02:16:07Z</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>C[N+]1=CC=CC=C1CCC2=CC(=CC=C2)OC(=O)N(C)C</moldb-smiles> <moldb-formula>C17H21N2O2+</moldb-formula> <moldb-inchi>InChI=1S/C17H21N2O2/c1-18(2)17(20)21-16-9-6-7-14(13-16)10-11-15-8-4-5-12-19(15)3/h4-9,12-13H,10-11H2,1-3H3/q+1</moldb-inchi> <moldb-inchikey>ZPLHRFIDJYASPG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">285.1603029</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM303870</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>[3-[2-(1-methylpyridin-1-ium-2-yl)ethyl]phenyl] n,n-dimethylcarbamate</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenoxy compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0259008</sync-id> <structure-inchikey>ZPLHRFIDJYASPG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000800800000000000000000000000000000000000000000000000000600000000000000000002000200000000001200000001000000000000011200000000000000000000020000040010100000000000000000000000000010000000000000000104000000000000000000000000000001000000001000040200000800000000000000000100000000100000000041000010000000000400000000000000000080000000000000000000000000000000000800200000000000000000000000000000400000000000000000040000220000000000000000000000000000040000000008400000000000000000000000000000000</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���h���h�������� � h� �h���h�� h� �h��� �� ��(��� ��������h�� h�B������������ �� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:15:59Z</structure-indexed-at> </compound>