ethyl 1-(phenylcarbonyloxymethyl)pyridin-1-ium-3-carboxylate chloride

Systemtic Name: ethyl 1-(phenylcarbonyloxymethyl)pyridin-1-ium-3-carboxylate chloride Openeye Name: ethyl 1-(benzoyloxymethyl)pyridin-1-ium-3-carboxylate chloride CAS Name: 1-(benzoyloxymethyl)-3-pyridin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-(benzoyloxymethyl)pyridin-1-ium-3-carboxylate chloride Traditional Name: 1-(benzoyloxymethyl)pyridin-1-ium-3-carboxylic acid ethyl ester chloride Formula: C16H16ClNO4 MolecularWeight: 321.75554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16NO4.ClH/c1-2-20-16(19)14-9-6-10-17(11-14)12-21-15(18)13-7-4-3-5-8-13;/h3-11H,2,12H2,1H3;1H/q+1;/p-1