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

Systemtic Name: 2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide Openeye Name: 2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide CAS Name: 2-[4-(2-fluorophenyl)-1-pyrimidin-1-iumyl]-1-(3-methoxyphenyl)ethanone bromide IUPAC Name: 2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide Traditional Name: 2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone bromide Formula: C19H16BrFN2O2 MolecularWeight: 403.244943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CC=C3F.[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CC=C3F.[Br-]

InChI

InChI=1S/C19H16FN2O2.BrH/c1-24-15-6-4-5-14(11-15)19(23)12-22-10-9-18(21-13-22)16-7-2-3-8-17(16)20;/h2-11,13H,12H2,1H3;1H/q+1;/p-1