2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-1-(p-tolyl)ethanone CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-isoquinolin-2-iumyl]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium-2-yl]-1-(4-methylphenyl)ethanone Traditional Name: 2-(6,7-dimethoxy-1-veratryl-isoquinolin-2-ium-2-yl)-1-(p-tolyl)ethanone Formula: C29H30NO5+ MolecularWeight: 472.5522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=C(C3=CC(=C(C=C3C=C2)OC)OC)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=C(C3=CC(=C(C=C3C=C2)OC)OC)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H30NO5/c1-19-6-9-21(10-7-19)25(31)18-30-13-12-22-16-28(34-4)29(35-5)17-23(22)24(30)14-20-8-11-26(32-2)27(15-20)33-3/h6-13,15-17H,14,18H2,1-5H3/q+1