sodium 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline-3-carboxylate

Systemtic Name: sodium 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline-3-carboxylate Openeye Name: sodium 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline-3-carboxylate CAS Name: sodium 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3-isoquinolinecarboxylate IUPAC Name: sodium 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline-3-carboxylate Traditional Name: sodium 6,7-dimethoxy-1-veratryl-isoquinoline-3-carboxylate Formula: C21H20NNaO6 MolecularWeight: 405.37637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6.Na/c1-25-17-6-5-12(8-18(17)26-2)7-15-14-11-20(28-4)19(27-3)10-13(14)9-16(22-15)21(23)24;/h5-6,8-11H,7H2,1-4H3,(H,23,24);/q;+1/p-1