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

Systemtic Name: 2-[4-(4-fluorophenyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide Openeye Name: 2-[4-(4-fluorophenyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide CAS Name: 2-[4-(4-fluorophenyl)-1-pyrimidin-1-iumyl]-1-(2-nitrophenyl)ethanone bromide IUPAC Name: 2-[4-(4-fluorophenyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide Traditional Name: 2-[4-(4-fluorophenyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide Formula: C18H13BrFN3O3 MolecularWeight: 418.216523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=C(C=C3)F)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=C(C=C3)F)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C18H13FN3O3.BrH/c19-14-7-5-13(6-8-14)16-9-10-21(12-20-16)11-18(23)15-3-1-2-4-17(15)22(24)25;/h1-10,12H,11H2;1H/q+1;/p-1