2-[2-ethyl-3,4-bis(oxidanyl)pyridin-1-ium-1-yl]ethyl pyridine-2-carboxylate chloride

Systemtic Name: 2-[2-ethyl-3,4-bis(oxidanyl)pyridin-1-ium-1-yl]ethyl pyridine-2-carboxylate chloride Openeye Name: 2-(2-ethyl-3,4-dihydroxy-pyridin-1-ium-1-yl)ethyl pyridine-2-carboxylate chloride CAS Name: 2-pyridinecarboxylic acid 2-(2-ethyl-3,4-dihydroxy-1-pyridin-1-iumyl)ethyl ester chloride IUPAC Name: 2-(2-ethyl-3,4-dihydroxypyridin-1-ium-1-yl)ethyl pyridine-2-carboxylate chloride Traditional Name: picolinic acid 2-(2-ethyl-3,4-dihydroxy-pyridin-1-ium-1-yl)ethyl ester chloride Formula: C15H17ClN2O4 MolecularWeight: 324.75948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C=CC(=C1O)O)CCOC(=O)C2=CC=CC=N2.[Cl-]

Isomeric SMILES

CCC1=[N+](C=CC(=C1O)O)CCOC(=O)C2=CC=CC=N2.[Cl-]

InChI

InChI=1S/C15H16N2O4.ClH/c1-2-12-14(19)13(18)6-8-17(12)9-10-21-15(20)11-5-3-4-7-16-11;/h3-8,19H,2,9-10H2,1H3;1H