(phenylmethyl) 1-(phenylmethyl)pyridin-1-ium-3-carboxylate chloride

Systemtic Name: (phenylmethyl) 1-(phenylmethyl)pyridin-1-ium-3-carboxylate chloride Openeye Name: benzyl 1-benzylpyridin-1-ium-3-carboxylate chloride CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarboxylic acid (phenylmethyl) ester chloride IUPAC Name: benzyl 1-benzylpyridin-1-ium-3-carboxylate chloride Traditional Name: 1-benzylpyridin-1-ium-3-carboxylic acid benzyl ester chloride Formula: C20H18ClNO2 MolecularWeight: 339.81542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H18NO2.ClH/c22-20(23-16-18-10-5-2-6-11-18)19-12-7-13-21(15-19)14-17-8-3-1-4-9-17;/h1-13,15H,14,16H2;1H/q+1;/p-1