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

Systemtic Name: sodium 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2H-isoquinolin-3-one Openeye Name: sodium 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2H-isoquinolin-3-one CAS Name: sodium 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2H-isoquinolin-3-one IUPAC Name: sodium 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2H-isoquinolin-3-one Traditional Name: sodium 6,7-dimethoxy-1-veratryl-3-isoquinolone Formula: C20H21NNaO5+ MolecularWeight: 378.37421

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CC(=O)N2)OC)OC)OC.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CC(=O)N2)OC)OC)OC.[Na+]

InChI

InChI=1S/C20H21NO5.Na/c1-23-16-6-5-12(8-17(16)24-2)7-15-14-11-19(26-4)18(25-3)9-13(14)10-20(22)21-15;/h5-6,8-11H,7H2,1-4H3,(H,21,22);/q;+1