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

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(3-bromanylquinolin-1-ium-1-yl)ethanone chloride Openeye Name: 2-(3-bromoquinolin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone chloride CAS Name: 2-(3-bromo-1-quinolin-1-iumyl)-1-(3,4-dihydroxyphenyl)ethanone chloride IUPAC Name: 2-(3-bromoquinolin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone chloride Traditional Name: 2-(3-bromoquinolin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone chloride Formula: C17H13BrClNO3 MolecularWeight: 394.64702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=[N+]2CC(=O)C3=CC(=C(C=C3)O)O)Br.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=[N+]2CC(=O)C3=CC(=C(C=C3)O)O)Br.[Cl-]

InChI

InChI=1S/C17H12BrNO3.ClH/c18-13-7-11-3-1-2-4-14(11)19(9-13)10-17(22)12-5-6-15(20)16(21)8-12;/h1-9H,10H2,(H-,20,21,22);1H