1-(4-bromophenyl)-2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-bromophenyl)-2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-bromophenyl)-2-[4-(2-fluorophenyl)-1-pyrimidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-bromophenyl)-2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C18H13Br2FN2O MolecularWeight: 452.115023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrFN2O.BrH/c19-14-7-5-13(6-8-14)18(23)11-22-10-9-17(21-12-22)15-3-1-2-4-16(15)20;/h1-10,12H,11H2;1H/q+1;/p-1