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

Systemtic Name: propan-2-yl 1-(phenylmethyl)pyridin-1-ium-3-carboxylate chloride Openeye Name: isopropyl 1-benzylpyridin-1-ium-3-carboxylate chloride CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarboxylic acid propan-2-yl ester chloride IUPAC Name: propan-2-yl 1-benzylpyridin-1-ium-3-carboxylate chloride Traditional Name: 1-benzylpyridin-1-ium-3-carboxylic acid isopropyl ester chloride Formula: C16H18ClNO2 MolecularWeight: 291.77262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18NO2.ClH/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;1H/q+1;/p-1