1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride Traditional Name: 6,7-dimethoxy-2-methyl-1-veratryl-2H-isoquinolin-2-ium-3-one chloride Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(=O)C=C2C=C(C(=CC2=C1CC3=CC(=C(C=C3)OC)OC)OC)OC.[Cl-]

Isomeric SMILES

C[NH+]1C(=O)C=C2C=C(C(=CC2=C1CC3=CC(=C(C=C3)OC)OC)OC)OC.[Cl-]

InChI

InChI=1S/C21H23NO5.ClH/c1-22-16(8-13-6-7-17(24-2)18(9-13)25-3)15-12-20(27-5)19(26-4)10-14(15)11-21(22)23;/h6-7,9-12H,8H2,1-5H3;1H