344504 <common-name>3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene-16-carbonitrile</common-name> <description>3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene-16-carbonitrile is a chemical compound with the formula C26H26N3O+. It has an average molecular weight of 397.50 g/mol.</description> <cas nil="true"/> <pubchem-id>162510891</pubchem-id> <chemical-formula>C26H26N3O+</chemical-formula> <weight>397.5</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">2026-08-31T06:28:34Z</created-at> <updated-at type="dateTime">2026-08-31T06:28:34Z</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>C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C#N)CCC7</moldb-smiles> <moldb-formula>C26H26N3O+</moldb-formula> <moldb-inchi>InChI=1S/C26H26N3O/c27-15-22-20-13-16-5-1-9-28-11-3-7-18(23(16)28)25(20)30-26-19-8-4-12-29-10-2-6-17(24(19)29)14-21(22)26/h13-14H,1-12H2/q+1/i15+1</moldb-inchi> <moldb-inchikey>KZPJNXVBEAAACN-XPOOIHDOSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">397.2109423</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>CHEM340397</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-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene-16-carbonitrile</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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0294873</sync-id> <structure-inchikey>KZPJNXVBEAAACN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>201000060000000000000800000000000020000000000000000000040000000000000000000000000000008040000000000100000000000009000000000000000000000008000002000000000000000000800020c00000000000000000000000000200000000000000000000104008000800020100000000000000000000000800000800000000000000000000a80000000000000000002000080000000080000200000000000000000000088300000000000000000020008002000004000000000000080000000000000000000000000000000080000000208000000000000200200000000000000040000000000000000000000000000000000000000000</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����B������ ������������ ������ ������������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:43:49Z</structure-indexed-at> </compound>