5-bromanyl-1-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]pyridin-1-ium-3-carboxylic acid bromide

Systemtic Name: 5-bromanyl-1-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]pyridin-1-ium-3-carboxylic acid bromide Openeye Name: 5-bromo-1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-3-carboxylic acid bromide CAS Name: 5-bromo-1-[2-oxo-2-(4-phenylphenyl)ethyl]-3-pyridin-1-iumcarboxylic acid bromide IUPAC Name: 5-bromo-1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium-3-carboxylic acid bromide Traditional Name: 5-bromo-1-[2-keto-2-(4-phenylphenyl)ethyl]pyridin-1-ium-3-carboxylic acid bromide Formula: C20H15Br2NO3 MolecularWeight: 477.146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrNO3.BrH/c21-18-10-17(20(24)25)11-22(12-18)13-19(23)16-8-6-15(7-9-16)14-4-2-1-3-5-14;/h1-12H,13H2;1H