2-(4-phenylpyrimidin-1-ium-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone bromide

Systemtic Name: 2-(4-phenylpyrimidin-1-ium-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone bromide Openeye Name: 2-(4-phenylpyrimidin-1-ium-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone bromide CAS Name: 2-(4-phenyl-1-pyrimidin-1-iumyl)-1-[3-(trifluoromethyl)phenyl]ethanone bromide IUPAC Name: 2-(4-phenylpyrimidin-1-ium-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone bromide Traditional Name: 2-(4-phenylpyrimidin-1-ium-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone bromide Formula: C19H14BrF3N2O MolecularWeight: 423.22647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14F3N2O.BrH/c20-19(21,22)16-8-4-7-15(11-16)18(25)12-24-10-9-17(23-13-24)14-5-2-1-3-6-14;/h1-11,13H,12H2;1H/q+1;/p-1