1-(3-bromophenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(3-bromophenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3-bromophenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(3-bromophenyl)-2-(4-thiophen-2-yl-1-pyrimidin-1-iumyl)ethanone bromide IUPAC Name: 1-(3-bromophenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3-bromophenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C16H12Br2N2OS MolecularWeight: 440.15228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CS3.[Br-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CS3.[Br-]

InChI

InChI=1S/C16H12BrN2OS.BrH/c17-13-4-1-3-12(9-13)15(20)10-19-7-6-14(18-11-19)16-5-2-8-21-16;/h1-9,11H,10H2;1H/q+1;/p-1