1-(5-methyl-2-phenylsulfanyl-pyridin-1-ium-1-yl)propan-2-one

Systemtic Name: 1-(5-methyl-2-phenylsulfanyl-pyridin-1-ium-1-yl)propan-2-one Openeye Name: 1-(5-methyl-2-phenylsulfanyl-pyridin-1-ium-1-yl)propan-2-one CAS Name: 1-[5-methyl-2-(phenylthio)-1-pyridin-1-iumyl]-2-propanone IUPAC Name: 1-(5-methyl-2-phenylsulfanylpyridin-1-ium-1-yl)propan-2-one Traditional Name: 1-[5-methyl-2-(phenylthio)pyridin-1-ium-1-yl]acetone Formula: C15H16NOS+ MolecularWeight: 258.35864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C=C1)SC2=CC=CC=C2)CC(=O)C

Isomeric SMILES

CC1=C[N+](=C(C=C1)SC2=CC=CC=C2)CC(=O)C

InChI

InChI=1S/C15H16NOS/c1-12-8-9-15(16(10-12)11-13(2)17)18-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3/q+1