2-[4-(3-bromophenyl)pyrimidin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide

Systemtic Name: 2-[4-(3-bromophenyl)pyrimidin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide Openeye Name: 2-[4-(3-bromophenyl)pyrimidin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide CAS Name: 2-[4-(3-bromophenyl)-1-pyrimidin-1-iumyl]-1-(4-fluorophenyl)ethanone bromide IUPAC Name: 2-[4-(3-bromophenyl)pyrimidin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide Traditional Name: 2-[4-(3-bromophenyl)pyrimidin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide Formula: C18H13Br2FN2O MolecularWeight: 452.115023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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