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

Systemtic Name: 2-(4-naphthalen-2-ylpyrimidin-1-ium-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone bromide Openeye Name: 2-[4-(2-naphthyl)pyrimidin-1-ium-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanone bromide CAS Name: 2-[4-(2-naphthalenyl)-1-pyrimidin-1-iumyl]-1-[3-(trifluoromethyl)phenyl]ethanone bromide IUPAC Name: 2-(4-naphthalen-2-ylpyrimidin-1-ium-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone bromide Traditional Name: 2-[4-(2-naphthyl)pyrimidin-1-ium-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanone bromide Formula: C23H16BrF3N2O MolecularWeight: 473.28515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=NC=[N+](C=C3)CC(=O)C4=CC(=CC=C4)C(F)(F)F.[Br-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NC=[N+](C=C3)CC(=O)C4=CC(=CC=C4)C(F)(F)F.[Br-]

InChI

InChI=1S/C23H16F3N2O.BrH/c24-23(25,26)20-7-3-6-19(13-20)22(29)14-28-11-10-21(27-15-28)18-9-8-16-4-1-2-5-17(16)12-18;/h1-13,15H,14H2;1H/q+1;/p-1