ethyl 1-(phenylmethyl)pyridin-1-ium-3-carboxylate iodide

Systemtic Name: ethyl 1-(phenylmethyl)pyridin-1-ium-3-carboxylate iodide Openeye Name: ethyl 1-benzylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 1-benzylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-benzylpyridin-1-ium-3-carboxylic acid ethyl ester iodide Formula: C15H16INO2 MolecularWeight: 369.19751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2.[I-]

Isomeric SMILES

CCOC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2.[I-]

InChI

InChI=1S/C15H16NO2.HI/c1-2-18-15(17)14-9-6-10-16(12-14)11-13-7-4-3-5-8-13;/h3-10,12H,2,11H2,1H3;1H/q+1;/p-1