2-[4-(3-methylphenyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide

Systemtic Name: 2-[4-(3-methylphenyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide Openeye Name: 2-[4-(m-tolyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide CAS Name: 2-[4-(3-methylphenyl)-1-pyrimidin-1-iumyl]-1-(2-nitrophenyl)ethanone bromide IUPAC Name: 2-[4-(3-methylphenyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide Traditional Name: 2-[4-(m-tolyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide Formula: C19H16BrN3O3 MolecularWeight: 414.25264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=CC=C3[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=CC=C3[N+](=O)[O-].[Br-]

InChI

InChI=1S/C19H16N3O3.BrH/c1-14-5-4-6-15(11-14)17-9-10-21(13-20-17)12-19(23)16-7-2-3-8-18(16)22(24)25;/h2-11,13H,12H2,1H3;1H/q+1;/p-1