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

Systemtic Name: 2-[2-ethyl-3,4-bis(oxidanyl)pyridin-1-ium-1-yl]ethyl benzoate chloride Openeye Name: 2-(2-ethyl-3,4-dihydroxy-pyridin-1-ium-1-yl)ethyl benzoate chloride CAS Name: benzoic 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 benzoate chloride Traditional Name: benzoic acid 2-(2-ethyl-3,4-dihydroxy-pyridin-1-ium-1-yl)ethyl ester chloride Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4.ClH/c1-2-13-15(19)14(18)8-9-17(13)10-11-21-16(20)12-6-4-3-5-7-12;/h3-9,19H,2,10-11H2,1H3;1H