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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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