4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium bromide

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium bromide Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium bromide CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium bromide IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium bromide Traditional Name: 6,7-dimethoxy-4-veratryl-isoquinolin-2-ium bromide Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=C[NH+]=CC3=CC(=C(C=C32)OC)OC)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=C[NH+]=CC3=CC(=C(C=C32)OC)OC)OC.[Br-]

InChI

InChI=1S/C20H21NO4.BrH/c1-22-17-6-5-13(8-18(17)23-2)7-14-11-21-12-15-9-19(24-3)20(25-4)10-16(14)15;/h5-6,8-12H,7H2,1-4H3;1H