1-[3,4-bis(oxidanyl)phenyl]-2-isoquinolin-2-ium-2-yl-ethanone chloride

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-isoquinolin-2-ium-2-yl-ethanone chloride Openeye Name: 1-(3,4-dihydroxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanone chloride CAS Name: 1-(3,4-dihydroxyphenyl)-2-(2-isoquinolin-2-iumyl)ethanone chloride IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-isoquinolin-2-ium-2-ylethanone chloride Traditional Name: 1-(3,4-dihydroxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanone chloride Formula: C17H14ClNO3 MolecularWeight: 315.75096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC(=C(C=C3)O)O.[Cl-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC(=C(C=C3)O)O.[Cl-]

InChI

InChI=1S/C17H13NO3.ClH/c19-15-6-5-13(9-16(15)20)17(21)11-18-8-7-12-3-1-2-4-14(12)10-18;/h1-10H,11H2,(H-,19,20,21);1H