1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-oxidanyl-isoquinolin-3-one hydrochloride

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-oxidanyl-isoquinolin-3-one hydrochloride Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-6,7-dimethoxy-isoquinolin-3-one hydrochloride CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-6,7-dimethoxy-3-isoquinolinone hydrochloride IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-6,7-dimethoxyisoquinolin-3-one hydrochloride Traditional Name: 2-hydroxy-6,7-dimethoxy-1-veratryl-3-isoquinolone hydrochloride Formula: C20H22ClNO6 MolecularWeight: 407.84478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CC(=O)N2O)OC)OC)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CC(=O)N2O)OC)OC)OC.Cl

InChI

InChI=1S/C20H21NO6.ClH/c1-24-16-6-5-12(8-17(16)25-2)7-15-14-11-19(27-4)18(26-3)9-13(14)10-20(22)21(15)23;/h5-6,8-11,23H,7H2,1-4H3;1H