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

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(1H-imidazol-1-ium-1-yl)ethanone chloride Openeye Name: 1-(3,4-dihydroxyphenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone chloride CAS Name: 1-(3,4-dihydroxyphenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone chloride IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone chloride Traditional Name: 1-(3,4-dihydroxyphenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone chloride Formula: C11H11ClN2O3 MolecularWeight: 254.66964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C[NH+]2C=CN=C2)O)O.[Cl-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C[NH+]2C=CN=C2)O)O.[Cl-]

InChI

InChI=1S/C11H10N2O3.ClH/c14-9-2-1-8(5-10(9)15)11(16)6-13-4-3-12-7-13;/h1-5,7,14-15H,6H2;1H