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

Systemtic Name: 1-[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(2,4-dihydroxyphenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(2,4-dihydroxyphenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C14H13ClN2O4 MolecularWeight: 308.71702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4.ClH/c15-14(20)9-2-1-5-16(7-9)8-13(19)11-4-3-10(17)6-12(11)18;/h1-7H,8H2,(H3-,15,17,18,19,20);1H