2-(1-methylpyridin-1-ium-2-yl)sulfanyl-1-phenyl-ethanone bromide

Systemtic Name: 2-(1-methylpyridin-1-ium-2-yl)sulfanyl-1-phenyl-ethanone bromide Openeye Name: 2-(1-methylpyridin-1-ium-2-yl)sulfanyl-1-phenyl-ethanone bromide CAS Name: 2-[(1-methyl-2-pyridin-1-iumyl)thio]-1-phenylethanone bromide IUPAC Name: 2-(1-methylpyridin-1-ium-2-yl)sulfanyl-1-phenylethanone bromide Traditional Name: 2-[(1-methylpyridin-1-ium-2-yl)thio]-1-phenyl-ethanone bromide Formula: C14H14BrNOS MolecularWeight: 324.23606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+]1=CC=CC=C1SCC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C14H14NOS.BrH/c1-15-10-6-5-9-14(15)17-11-13(16)12-7-3-2-4-8-12;/h2-10H,11H2,1H3;1H/q+1;/p-1