2-(3-ethanoylpyridin-1-ium-1-yl)-1-thiophen-2-yl-ethanone bromide

Systemtic Name: 2-(3-ethanoylpyridin-1-ium-1-yl)-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(2-thienyl)ethanone bromide CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-1-thiophen-2-ylethanone bromide IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-thiophen-2-ylethanone bromide Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(2-thienyl)ethanone bromide Formula: C13H12BrNO2S MolecularWeight: 326.20888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC=CS2.[Br-]

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC=CS2.[Br-]

InChI

InChI=1S/C13H12NO2S.BrH/c1-10(15)11-4-2-6-14(8-11)9-12(16)13-5-3-7-17-13;/h2-8H,9H2,1H3;1H/q+1;/p-1