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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN2OS/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/q+1