349627 <common-name>27-methyl-14-propan-2-yl-18-aza-8-azoniapentacyclo[13.12.0.02,12.03,8.019,24]heptacosa-1,3,5,7,12,14,19,21,23,25-decaene</common-name> <description>27-methyl-14-propan-2-yl-18-aza-8-azoniapentacyclo[13.12.0.02,12.03,8.019,24]heptacosa-1,3,5,7,12,14,19,21,23,25-decaene is a compound with the formula C29H33N2+. It has an average molecular weight of 409.60 g/mol.</description> <cas nil="true"/> <pubchem-id>167312531</pubchem-id> <chemical-formula>C29H33N2+</chemical-formula> <weight>409.6</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">2026-08-31T14:16:17Z</created-at> <updated-at type="dateTime">2026-08-31T14:16:17Z</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>CC1C=CC2=CC=CC=C2NCCC3=C(C=C4CCC[N+]5=CC=CC=C5C4=C13)C(C)C</moldb-smiles> <moldb-formula>C29H33N2+</moldb-formula> <moldb-inchi>InChI=1S/C29H33N2/c1-20(2)25-19-23-10-8-18-31-17-7-6-12-27(31)29(23)28-21(3)13-14-22-9-4-5-11-26(22)30-16-15-24(25)28/h4-7,9,11-14,17,19-21,30H,8,10,15-16,18H2,1-3H3/q+1</moldb-inchi> <moldb-inchikey>GGLULBFJJCXQMF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">409.2643741</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.2</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>CHEM345520</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>27-methyl-14-propan-2-yl-18-aza-8-azoniapentacyclo[13.12.0.02,12.03,8.019,24]heptacosa-1,3,5,7,12,14,19,21,23,25-decaene</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>CED0299950</sync-id> <structure-inchikey>GGLULBFJJCXQMF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000030000000000000000100040000000000000000000000000000400000000001000004100000000000040000000000000200000000001000000000000000000005028000000200200000000000000000000000000000000000000000000000020000800000000000000100000000000020000040000800400001000100800000040000014800000200000000000000000000500000000080000800000000000040800000000000000080000000000000000880002000000000000010000000000000000000000000004008000000000000000000000209200000000000000000000000002002040000000000090000000000000020000000000000000</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���������������h���h���h���h���h��� ��h������������� �h�� h���h���h�B���� �� �� �������� ������� �������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:47:42Z</structure-indexed-at> </compound>