(phenylmethyl) 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate

Systemtic Name: (phenylmethyl) 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate Openeye Name: benzyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid benzyl ester Formula: C21H20NO2+ MolecularWeight: 318.389

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20NO2/c1-2-22-14-13-19(18-11-7-4-8-12-18)20(15-22)21(23)24-16-17-9-5-3-6-10-17/h3-15H,2,16H2,1H3/q+1