6,7-dimethoxy-1-oxidanylidene-4-pyridin-4-yl-2H-isoquinoline-3-carboxylic acid hydrochloride

Systemtic Name: 6,7-dimethoxy-1-oxidanylidene-4-pyridin-4-yl-2H-isoquinoline-3-carboxylic acid hydrochloride Openeye Name: 6,7-dimethoxy-1-oxo-4-(4-pyridyl)-2H-isoquinoline-3-carboxylic acid hydrochloride CAS Name: 6,7-dimethoxy-1-oxo-4-pyridin-4-yl-2H-isoquinoline-3-carboxylic acid hydrochloride IUPAC Name: 6,7-dimethoxy-1-oxo-4-pyridin-4-yl-2H-isoquinoline-3-carboxylic acid hydrochloride Traditional Name: 1-keto-6,7-dimethoxy-4-(4-pyridyl)-2H-isoquinoline-3-carboxylic acid hydrochloride Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(NC2=O)C(=O)O)C3=CC=NC=C3)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(NC2=O)C(=O)O)C3=CC=NC=C3)OC.Cl

InChI

InChI=1S/C17H14N2O5.ClH/c1-23-12-7-10-11(8-13(12)24-2)16(20)19-15(17(21)22)14(10)9-3-5-18-6-4-9;/h3-8H,1-2H3,(H,19,20)(H,21,22);1H