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

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium; methanesulfonate Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium; methanesulfonate CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium; methanesulfonate IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium; methanesulfonate Traditional Name: 6,7-dimethoxy-4-veratryl-isoquinolin-2-ium mesylate Formula: C21H25NO7S MolecularWeight: 435.4907

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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.CS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4.CH4O3S/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;1-5(2,3)4/h5-6,8-12H,7H2,1-4H3;1H3,(H,2,3,4)