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

Systemtic Name: ethyl 1-(phenylmethyl)pyridin-1-ium-3-carboxylate bromide Openeye Name: ethyl 1-benzylpyridin-1-ium-3-carboxylate bromide CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-benzylpyridin-1-ium-3-carboxylate bromide Traditional Name: 1-benzylpyridin-1-ium-3-carboxylic acid ethyl ester bromide Formula: C15H16BrNO2 MolecularWeight: 322.19704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16NO2.BrH/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