methyl 2-[1-(2,2-diphenylethenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(2,2-diphenylethenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-2-yl]ethanoate Openeye Name: methyl 2-[1-(2,2-diphenylvinyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-2-yl]acetate CAS Name: 2-[1-(2,2-diphenylethenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(2,2-diphenylethenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-2-yl]acetate Traditional Name: 2-[1-(2,2-diphenylvinyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-2-yl]acetic acid methyl ester Formula: C28H28NO4+ MolecularWeight: 442.52622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+](=C2C=C(C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+](=C2C=C(C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)OC)OC

InChI

InChI=1S/C28H28NO4/c1-31-26-16-22-14-15-29(19-28(30)33-3)25(24(22)18-27(26)32-2)17-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16-18H,14-15,19H2,1-3H3/q+1