propan-2-yl 1-(phenylmethyl)pyridin-1-ium-3-carboxylate

Systemtic Name: propan-2-yl 1-(phenylmethyl)pyridin-1-ium-3-carboxylate Openeye Name: isopropyl 1-benzylpyridin-1-ium-3-carboxylate CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-benzylpyridin-1-ium-3-carboxylate Traditional Name: 1-benzylpyridin-1-ium-3-carboxylic acid isopropyl ester Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C16H18NO2/c1-13(2)19-16(18)15-9-6-10-17(12-15)11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3/q+1