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

Systemtic Name: 2-[4-(3-bromophenyl)pyrimidin-1-ium-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[4-(3-bromophenyl)pyrimidin-1-ium-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[4-(3-bromophenyl)-1-pyrimidin-1-iumyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[4-(3-bromophenyl)pyrimidin-1-ium-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[4-(3-bromophenyl)pyrimidin-1-ium-1-yl]-1-(2-thienyl)ethanone Formula: C16H12BrN2OS+ MolecularWeight: 360.24828

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN2OS/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/q+1