3-ethyl-1-(phenylcarbonyloxymethyl)pyridin-1-ium-2-carboxylic acid chloride

Systemtic Name: 3-ethyl-1-(phenylcarbonyloxymethyl)pyridin-1-ium-2-carboxylic acid chloride Openeye Name: 1-(benzoyloxymethyl)-3-ethyl-pyridin-1-ium-2-carboxylic acid chloride CAS Name: 1-(benzoyloxymethyl)-3-ethyl-2-pyridin-1-iumcarboxylic acid chloride IUPAC Name: 1-(benzoyloxymethyl)-3-ethylpyridin-1-ium-2-carboxylic acid chloride Traditional Name: 1-(benzoyloxymethyl)-3-ethyl-pyridin-1-ium-2-carboxylic acid chloride Formula: C16H16ClNO4 MolecularWeight: 321.75554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+](=CC=C1)COC(=O)C2=CC=CC=C2)C(=O)O.[Cl-]

Isomeric SMILES

CCC1=C([N+](=CC=C1)COC(=O)C2=CC=CC=C2)C(=O)O.[Cl-]

InChI

InChI=1S/C16H15NO4.ClH/c1-2-12-9-6-10-17(14(12)15(18)19)11-21-16(20)13-7-4-3-5-8-13;/h3-10H,2,11H2,1H3;1H