350489 <common-name>4-[2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one</common-name> <description>4-[2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one is a chemical compound with the formula C30H29N2O4S+. With an average molecular weight of 513.60 g/mol, 4-[2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>110421</pubchem-id> <chemical-formula>C30H29N2O4S+</chemical-formula> <weight>513.6</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">2026-08-31T15:35:29Z</created-at> <updated-at type="dateTime">2026-08-31T15:35:29Z</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>CC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C)C)C=CC4=C(N(OC4=O)C)C5=CC=CC=C5</moldb-smiles> <moldb-formula>C30H29N2O4S+</moldb-formula> <moldb-inchi>InChI=1S/C30H29N2O4S/c1-5-32-26-18-16-23(37(34,35)22-14-10-7-11-15-22)20-25(26)30(2,3)27(32)19-17-24-28(31(4)36-29(24)33)21-12-8-6-9-13-21/h6-20H,5H2,1-4H3/q+1</moldb-inchi> <moldb-inchikey>KKGYWNIOQMGKIP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">513.1848036</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.5</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>CHEM346382</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>4-[2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one</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>Organoheterocyclic compounds</superklass> <klass>Indoles and derivatives</klass> <subklass>Indoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0300794</sync-id> <structure-inchikey>KKGYWNIOQMGKIP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000048000000000000000000000000000000000000000000000000000420000210000000300000000041000000000000000010000000000000100000000000001000000000000040000208000000002010010000080000000000000000008000010000000001000000000000001000040000400000000000000000008480000008000000000000040008000400001000800000000000000a1000000000000000000000000080000000000000000000018080000000000000000000000100020000008000000000000000000000040000000000200000080000000000020000000004040000000000010000000000000080002000000000000</structure-fingerprint> 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