2-[8-methoxy-1-methyl-6,7-bis(oxidanyl)-3-oxidanylidene-2H-isoquinolin-4-yl]propanoic acid hydrobromide

Systemtic Name: 2-[8-methoxy-1-methyl-6,7-bis(oxidanyl)-3-oxidanylidene-2H-isoquinolin-4-yl]propanoic acid hydrobromide Openeye Name: 2-(6,7-dihydroxy-8-methoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)propanoic acid hydrobromide CAS Name: 2-(6,7-dihydroxy-8-methoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)propanoic acid hydrobromide IUPAC Name: 2-(6,7-dihydroxy-8-methoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)propanoic acid hydrobromide Traditional Name: 2-(6,7-dihydroxy-3-keto-8-methoxy-1-methyl-2H-isoquinolin-4-yl)propionic acid hydrobromide Formula: C14H16BrNO6 MolecularWeight: 374.18394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=O)N1)C(C)C(=O)O)C=C(C(=C2OC)O)O.Br

Isomeric SMILES

CC1=C2C(=C(C(=O)N1)C(C)C(=O)O)C=C(C(=C2OC)O)O.Br

InChI

InChI=1S/C14H15NO6.BrH/c1-5(14(19)20)9-7-4-8(16)11(17)12(21-3)10(7)6(2)15-13(9)18;/h4-5,16-17H,1-3H3,(H,15,18)(H,19,20);1H