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

Systemtic Name: 2-[4-(2-methylphenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-2-yl-ethanone bromide Openeye Name: 1-(2-naphthyl)-2-[4-(o-tolyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 2-[4-(2-methylphenyl)-1-pyrimidin-1-iumyl]-1-(2-naphthalenyl)ethanone bromide IUPAC Name: 2-[4-(2-methylphenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide Traditional Name: 1-(2-naphthyl)-2-[4-(o-tolyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C23H19BrN2O MolecularWeight: 419.31376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC=[N+](C=C2)CC(=O)C3=CC4=CC=CC=C4C=C3.[Br-]

Isomeric SMILES

CC1=CC=CC=C1C2=NC=[N+](C=C2)CC(=O)C3=CC4=CC=CC=C4C=C3.[Br-]

InChI

InChI=1S/C23H19N2O.BrH/c1-17-6-2-5-9-21(17)22-12-13-25(16-24-22)15-23(26)20-11-10-18-7-3-4-8-19(18)14-20;/h2-14,16H,15H2,1H3;1H/q+1;/p-1