1-naphthalen-1-yl-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-naphthalen-1-yl-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(1-naphthyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide CAS Name: 1-(1-naphthalenyl)-2-(4-phenyl-1-pyrimidin-1-iumyl)ethanone bromide IUPAC Name: 1-naphthalen-1-yl-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(1-naphthyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone bromide Formula: C22H17BrN2O MolecularWeight: 405.28718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=CC4=CC=CC=C43.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC=CC4=CC=CC=C43.[Br-]

InChI

InChI=1S/C22H17N2O.BrH/c25-22(20-12-6-10-17-7-4-5-11-19(17)20)15-24-14-13-21(23-16-24)18-8-2-1-3-9-18;/h1-14,16H,15H2;1H/q+1;/p-1