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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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