1-(2,2-diphenylethenyl)-2-prop-2-enyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium bromide

Systemtic Name: 1-(2,2-diphenylethenyl)-2-prop-2-enyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium bromide Openeye Name: 2-allyl-1-(2,2-diphenylvinyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium bromide CAS Name: 1-(2,2-diphenylethenyl)-2-prop-2-enyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium bromide IUPAC Name: 1-(2,2-diphenylethenyl)-2-prop-2-enyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium bromide Traditional Name: 2-allyl-1-(2,2-diphenylvinyl)-4,9-dihydro-3H-$b-carbolin-2-ium bromide Formula: C28H25BrN2 MolecularWeight: 469.4155

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(C2=C(CC1)C3=CC=CC=C3N2)C=C(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C=CC[N+]1=C(C2=C(CC1)C3=CC=CC=C3N2)C=C(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C28H24N2.BrH/c1-2-18-30-19-17-24-23-15-9-10-16-26(23)29-28(24)27(30)20-25(21-11-5-3-6-12-21)22-13-7-4-8-14-22;/h2-16,20H,1,17-19H2;1H