4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-1-ium bromide

Systemtic Name: 4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-1-ium bromide Openeye Name: 4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-1-ium bromide CAS Name: 4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-1-ium bromide IUPAC Name: 4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-1-ium bromide Traditional Name: 4-phenyl-1-[3-(trifluoromethyl)benzyl]pyrimidin-1-ium bromide Formula: C18H14BrF3N2 MolecularWeight: 395.21637

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=[N+](C=C2)CC3=CC(=CC=C3)C(F)(F)F.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=[N+](C=C2)CC3=CC(=CC=C3)C(F)(F)F.[Br-]

InChI

InChI=1S/C18H14F3N2.BrH/c19-18(20,21)16-8-4-5-14(11-16)12-23-10-9-17(22-13-23)15-6-2-1-3-7-15;/h1-11,13H,12H2;1H/q+1;/p-1