1,6-dimethyl-2-oxidanyl-3-phenylsulfanyl-3H-pyridin-1-ium-4-one

Systemtic Name: 1,6-dimethyl-2-oxidanyl-3-phenylsulfanyl-3H-pyridin-1-ium-4-one Openeye Name: 2-hydroxy-1,6-dimethyl-3-phenylsulfanyl-3H-pyridin-1-ium-4-one CAS Name: 2-hydroxy-1,6-dimethyl-3-(phenylthio)-3H-pyridin-1-ium-4-one IUPAC Name: 2-hydroxy-1,6-dimethyl-3-phenylsulfanyl-3H-pyridin-1-ium-4-one Traditional Name: 2-hydroxy-1,6-dimethyl-3-(phenylthio)-3H-pyridin-1-ium-4-one Formula: C13H14NO2S+ MolecularWeight: 248.32076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C(=[N+]1C)O)SC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=O)C(C(=[N+]1C)O)SC2=CC=CC=C2

InChI

InChI=1S/C13H13NO2S/c1-9-8-11(15)12(13(16)14(9)2)17-10-6-4-3-5-7-10/h3-8,12H,1-2H3/p+1