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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide Traditional Name: 6,7-dimethoxy-3-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)CC2CC3=CC(=C(C=C3C=[NH+]2)OC)OC)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2CC3=CC(=C(C=C3C=[NH+]2)OC)OC)OC.[Br-]

InChI

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