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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium chloride Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium chloride CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium chloride IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium chloride Traditional Name: 6,7-dimethoxy-1-o-veratryl-isoquinolin-2-ium chloride Formula: C20H22ClNO4 MolecularWeight: 375.84598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CC2=[NH+]C=CC3=CC(=C(C=C32)OC)OC.[Cl-]

Isomeric SMILES

COC1=CC=CC(=C1OC)CC2=[NH+]C=CC3=CC(=C(C=C32)OC)OC.[Cl-]

InChI

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