2-but-3-enyl-1-(2,2-diphenylethenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide

Systemtic Name: 2-but-3-enyl-1-(2,2-diphenylethenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Openeye Name: 2-but-3-enyl-1-(2,2-diphenylvinyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide CAS Name: 2-but-3-enyl-1-(2,2-diphenylethenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide IUPAC Name: 2-but-3-enyl-1-(2,2-diphenylethenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Traditional Name: 2-but-3-enyl-1-(2,2-diphenylvinyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Formula: C29H30BrNO2 MolecularWeight: 504.458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+](=C2C=C(C3=CC=CC=C3)C4=CC=CC=C4)CCC=C)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+](=C2C=C(C3=CC=CC=C3)C4=CC=CC=C4)CCC=C)OC.[Br-]

InChI

InChI=1S/C29H30NO2.BrH/c1-4-5-17-30-18-16-24-19-28(31-2)29(32-3)21-26(24)27(30)20-25(22-12-8-6-9-13-22)23-14-10-7-11-15-23;/h4,6-15,19-21H,1,5,16-18H2,2-3H3;1H/q+1;/p-1