1-(4-nitrophenyl)-2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-nitrophenyl)-2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethanone bromide Openeye Name: 1-(4-nitrophenyl)-2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethanone bromide CAS Name: 1-(4-nitrophenyl)-2-(2-phenyl-1-imidazo[1,2-a]pyridin-4-iumyl)ethanone bromide IUPAC Name: 1-(4-nitrophenyl)-2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethanone bromide Traditional Name: 1-(4-nitrophenyl)-2-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)ethanone bromide Formula: C21H16BrN3O3 MolecularWeight: 438.27404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C[N+]3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C[N+]3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C21H16N3O3.BrH/c25-20(17-9-11-18(12-10-17)24(26)27)15-23-19(16-6-2-1-3-7-16)14-22-13-5-4-8-21(22)23;/h1-14H,15H2;1H/q+1;/p-1