[1-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]pyridin-1-ium-3-yl] benzoate bromide

Systemtic Name: [1-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]pyridin-1-ium-3-yl] benzoate bromide Openeye Name: [1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-3-yl] benzoate bromide CAS Name: benzoic acid [1-[2-oxo-2-(4-phenylphenyl)ethyl]-3-pyridin-1-iumyl] ester bromide IUPAC Name: [1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-3-yl] benzoate bromide Traditional Name: benzoic acid [1-[2-keto-2-(4-phenylphenyl)ethyl]pyridin-1-ium-3-yl] ester bromide Formula: C26H20BrNO3 MolecularWeight: 474.3459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=CC(=C3)OC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=CC(=C3)OC(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H20NO3.BrH/c28-25(22-15-13-21(14-16-22)20-8-3-1-4-9-20)19-27-17-7-12-24(18-27)30-26(29)23-10-5-2-6-11-23;/h1-18H,19H2;1H/q+1;/p-1