ethyl 1-(phenylmethyl)pyridin-1-ium-4-carboxylate bromide

Systemtic Name: ethyl 1-(phenylmethyl)pyridin-1-ium-4-carboxylate bromide Openeye Name: ethyl 1-benzylpyridin-1-ium-4-carboxylate bromide CAS Name: 1-(phenylmethyl)-4-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-benzylpyridin-1-ium-4-carboxylate bromide Traditional Name: 1-benzylpyridin-1-ium-4-carboxylic acid ethyl ester bromide Formula: C15H16BrNO2 MolecularWeight: 322.19704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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