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

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(3-bromanylpyridin-1-ium-1-yl)ethanone chloride Openeye Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone chloride CAS Name: 2-(3-bromo-1-pyridin-1-iumyl)-1-(3,4-dihydroxyphenyl)ethanone chloride IUPAC Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone chloride Traditional Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone chloride Formula: C13H11BrClNO3 MolecularWeight: 344.58834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)C2=CC(=C(C=C2)O)O)Br.[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)C2=CC(=C(C=C2)O)O)Br.[Cl-]

InChI

InChI=1S/C13H10BrNO3.ClH/c14-10-2-1-5-15(7-10)8-13(18)9-3-4-11(16)12(17)6-9;/h1-7H,8H2,(H-,16,17,18);1H