(1-phenyl-2-pyridin-1-ium-1-yl-ethyl) benzoate

Systemtic Name: (1-phenyl-2-pyridin-1-ium-1-yl-ethyl) benzoate Openeye Name: (1-phenyl-2-pyridin-1-ium-1-yl-ethyl) benzoate CAS Name: benzoic acid [1-phenyl-2-(1-pyridin-1-iumyl)ethyl] ester IUPAC Name: (1-phenyl-2-pyridin-1-ium-1-ylethyl) benzoate Traditional Name: benzoic acid (1-phenyl-2-pyridin-1-ium-1-yl-ethyl) ester Formula: C20H18NO2+ MolecularWeight: 304.36242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C[N+]2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C[N+]2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

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