1-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carbonitrile chloride

Systemtic Name: 1-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carbonitrile chloride Openeye Name: 1-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]pyridin-1-ium-3-carbonitrile chloride CAS Name: 1-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-3-pyridin-1-iumcarbonitrile chloride IUPAC Name: 1-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]pyridin-1-ium-3-carbonitrile chloride Traditional Name: 1-[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]pyridin-1-ium-3-carbonitrile chloride Formula: C14H11ClN2O3 MolecularWeight: 290.70174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O3.ClH/c15-7-10-2-1-5-16(8-10)9-14(19)11-3-4-12(17)13(18)6-11;/h1-6,8H,9H2,(H-,17,18,19);1H