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

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(3-methylimidazol-3-ium-1-yl)ethanone chloride Openeye Name: 1-(3,4-dihydroxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone chloride CAS Name: 1-(3,4-dihydroxyphenyl)-2-(3-methyl-1-imidazol-3-iumyl)ethanone chloride IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone chloride Traditional Name: 1-(3,4-dihydroxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone chloride Formula: C12H13ClN2O3 MolecularWeight: 268.69622

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(=O)C2=CC(=C(C=C2)O)O.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC(=O)C2=CC(=C(C=C2)O)O.[Cl-]

InChI

InChI=1S/C12H12N2O3.ClH/c1-13-4-5-14(8-13)7-12(17)9-2-3-10(15)11(16)6-9;/h2-6,8H,7H2,1H3,(H-,15,16,17);1H