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

Systemtic Name: 2-[4-(4-fluorophenyl)pyrimidin-1-ium-1-yl]-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-[4-(4-fluorophenyl)pyrimidin-1-ium-1-yl]-1-(2-thienyl)ethanone bromide CAS Name: 2-[4-(4-fluorophenyl)-1-pyrimidin-1-iumyl]-1-thiophen-2-ylethanone bromide IUPAC Name: 2-[4-(4-fluorophenyl)pyrimidin-1-ium-1-yl]-1-thiophen-2-ylethanone bromide Traditional Name: 2-[4-(4-fluorophenyl)pyrimidin-1-ium-1-yl]-1-(2-thienyl)ethanone bromide Formula: C16H12BrFN2OS MolecularWeight: 379.246683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12FN2OS.BrH/c17-13-5-3-12(4-6-13)14-7-8-19(11-18-14)10-15(20)16-2-1-9-21-16;/h1-9,11H,10H2;1H/q+1;/p-1