1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Traditional Name: 6,7-dimethoxy-1-veratryl-3,4-dihydroisoquinolin-2-ium bromide Formula: C20H24BrNO4 MolecularWeight: 422.31286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=[NH+]CCC3=CC(=C(C=C32)OC)OC)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=[NH+]CCC3=CC(=C(C=C32)OC)OC)OC.[Br-]

InChI

InChI=1S/C20H23NO4.BrH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12H,7-9H2,1-4H3;1H