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

Systemtic Name: 1-(4-methylphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]-1-(p-tolyl)ethanone bromide CAS Name: 1-(4-methylphenyl)-2-[4-(4-phenylphenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-methylphenyl)-2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 2-[4-(4-phenylphenyl)pyrimidin-1-ium-1-yl]-1-(p-tolyl)ethanone bromide Formula: C25H21BrN2O MolecularWeight: 445.35104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H21N2O.BrH/c1-19-7-9-23(10-8-19)25(28)17-27-16-15-24(26-18-27)22-13-11-21(12-14-22)20-5-3-2-4-6-20;/h2-16,18H,17H2,1H3;1H/q+1;/p-1