4-[[3,4-bis(oxidanyl)phenyl]methyl]-7-methoxy-2H-isoquinolin-8-one hydrochloride

Systemtic Name: 4-[[3,4-bis(oxidanyl)phenyl]methyl]-7-methoxy-2H-isoquinolin-8-one hydrochloride Openeye Name: 4-[(3,4-dihydroxyphenyl)methyl]-7-methoxy-2H-isoquinolin-8-one hydrochloride CAS Name: 4-[(3,4-dihydroxyphenyl)methyl]-7-methoxy-2H-isoquinolin-8-one hydrochloride IUPAC Name: 4-[(3,4-dihydroxyphenyl)methyl]-7-methoxy-2H-isoquinolin-8-one hydrochloride Traditional Name: 7-methoxy-4-protocatechuyl-2H-isoquinolin-8-one hydrochloride Formula: C17H16ClNO4 MolecularWeight: 333.76624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C2C(=CNC=C2C1=O)CC3=CC(=C(C=C3)O)O.Cl

Isomeric SMILES

COC1=CC=C2C(=CNC=C2C1=O)CC3=CC(=C(C=C3)O)O.Cl

InChI

InChI=1S/C17H15NO4.ClH/c1-22-16-5-3-12-11(8-18-9-13(12)17(16)21)6-10-2-4-14(19)15(20)7-10;/h2-5,7-9,18-20H,6H2,1H3;1H