348600 <common-name>1-(1-methylpiperidin-1-ium-1-yl)-2-[4-[4-[2-(1-methylpiperidin-1-ium-1-yl)-2-oxoethyl]phenyl]phenyl]ethanone</common-name> <description>1-(1-methylpiperidin-1-ium-1-yl)-2-[4-[4-[2-(1-methylpiperidin-1-ium-1-yl)-2-oxoethyl]phenyl]phenyl]ethanone is a chemical compound with the formula C28H38N2O2+2. It has an average molecular weight of 434.60 g/mol.</description> <cas nil="true"/> <pubchem-id>3048043</pubchem-id> <chemical-formula>C28H38N2O2+2</chemical-formula> <weight>434.6</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">2026-08-31T12:40:38Z</created-at> <updated-at type="dateTime">2026-08-31T12:40:38Z</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>C[N+]1(CCCCC1)C(=O)CC2=CC=C(C=C2)C3=CC=C(C=C3)CC(=O)[N+]4(CCCCC4)C</moldb-smiles> <moldb-formula>C28H38N2O2+2</moldb-formula> <moldb-inchi>InChI=1S/C28H38N2O2/c1-29(17-5-3-6-18-29)27(31)21-23-9-13-25(14-10-23)26-15-11-24(12-16-26)22-28(32)30(2)19-7-4-8-20-30/h9-16H,3-8,17-22H2,1-2H3/q+2</moldb-inchi> <moldb-inchikey>PPKSQQHROAKCQI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">434.2933285</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</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>CHEM344493</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>1-(1-methylpiperidin-1-ium-1-yl)-2-[4-[4-[2-(1-methylpiperidin-1-ium-1-yl)-2-oxoethyl]phenyl]phenyl]ethanone</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>Biphenyls and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0298930</sync-id> <structure-inchikey>PPKSQQHROAKCQI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000800000000000000000000000000000000000000000000000000000000200040000000000000000000000002000000000000000000000000000000000000000000000000000000020000002000000000000000000000000000000010000000000000000000000800050020000000000000000008000000800000040000000000000000000000000800000000000000000000000000000000000000000000004000000080000000000000000000020000000000000000000000000000000010000000200000800000000000000000000004220000000000000000000000000000040000000000400000000000800000000000000000000</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">2026-09-19T05:46:55Z</structure-indexed-at> </compound>