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

Systemtic Name: (1-phenyl-2-pyridin-1-ium-1-yl-ethyl) benzoate bromide Openeye Name: (1-phenyl-2-pyridin-1-ium-1-yl-ethyl) benzoate bromide CAS Name: benzoic acid [1-phenyl-2-(1-pyridin-1-iumyl)ethyl] ester bromide IUPAC Name: (1-phenyl-2-pyridin-1-ium-1-ylethyl) benzoate bromide Traditional Name: benzoic acid (1-phenyl-2-pyridin-1-ium-1-yl-ethyl) ester bromide Formula: C20H18BrNO2 MolecularWeight: 384.26642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18NO2.BrH/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;1H/q+1;/p-1