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

Systemtic Name: 1-[2-[3,4-bis(oxidanyl)phenyl]ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(3,4-dihydroxyphenyl)ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(3,4-dihydroxyphenyl)ethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(3,4-dihydroxyphenyl)ethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(3,4-dihydroxyphenyl)ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C14H15ClN2O3 MolecularWeight: 294.7335

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCC2=CC(=C(C=C2)O)O)C(=O)N.[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CCC2=CC(=C(C=C2)O)O)C(=O)N.[Cl-]

InChI

InChI=1S/C14H14N2O3.ClH/c15-14(19)11-2-1-6-16(9-11)7-5-10-3-4-12(17)13(18)8-10;/h1-4,6,8-9H,5,7H2,(H3-,15,17,18,19);1H