349990 <common-name>2-(1-octylpiperidin-1-ium-1-yl)ethyl n-(2-heptoxyphenyl)carbamate</common-name> <description>2-(1-octylpiperidin-1-ium-1-yl)ethyl n-(2-heptoxyphenyl)carbamate is a compound with the formula C29H51N2O3+. It has an average molecular weight of 475.70 g/mol.</description> <cas nil="true"/> <pubchem-id>3052813</pubchem-id> <chemical-formula>C29H51N2O3+</chemical-formula> <weight>475.7</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">2026-08-31T14:49:49Z</created-at> <updated-at type="dateTime">2026-08-31T14:49:49Z</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>CCCCCCCC[N+]1(CCCCC1)CCOC(=O)NC2=CC=CC=C2OCCCCCCC</moldb-smiles> <moldb-formula>C29H51N2O3+</moldb-formula> <moldb-inchi>InChI=1S/C29H50N2O3/c1-3-5-7-9-10-15-21-31(22-16-12-17-23-31)24-26-34-29(32)30-27-19-13-14-20-28(27)33-25-18-11-8-6-4-2/h13-14,19-20H,3-12,15-18,21-26H2,1-2H3/p+1</moldb-inchi> <moldb-inchikey>XDVGVDYXLVTSIJ-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">475.3899685</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>8.7</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>CHEM345883</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>2-(1-octylpiperidin-1-ium-1-yl)ethyl n-(2-heptoxyphenyl)carbamate</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>Phenylcarbamic acid esters</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0300313</sync-id> <structure-inchikey>XDVGVDYXLVTSIJ-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>200400000000000000008000000000000000100000000000000000000000000000000000020000000000000000000000000000000020000010000000000000000000000000000000000100000000000000a0000000000100000008000000000000000020010000000000000000000000000000021000000000000000000004000800000040000000800000000000010080000000200100000080000040000000000000000002000000000001080000002000000008080000002000000002000000000000000000010000000200000000000000408000000000400202000000400000008000000000000040100000010400000000000020000000000000000000</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">2026-09-19T05:48:01Z</structure-indexed-at> </compound>