2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone bromide

Systemtic Name: 2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-(2-thienyl)ethanone bromide CAS Name: 2-(4-benzoyl-1-pyridin-1-iumyl)-1-thiophen-2-ylethanone bromide IUPAC Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-thiophen-2-ylethanone bromide Traditional Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-(2-thienyl)ethanone bromide Formula: C18H14BrNO2S MolecularWeight: 388.27826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14NO2S.BrH/c20-16(17-7-4-12-22-17)13-19-10-8-15(9-11-19)18(21)14-5-2-1-3-6-14;/h1-12H,13H2;1H/q+1;/p-1