1-methyl-2-(phenylmethylsulfanyl)pyridin-1-ium-3-ol

Systemtic Name: 1-methyl-2-(phenylmethylsulfanyl)pyridin-1-ium-3-ol Openeye Name: 2-benzylsulfanyl-1-methyl-pyridin-1-ium-3-ol CAS Name: 1-methyl-2-(phenylmethylthio)-3-pyridin-1-iumol IUPAC Name: 2-benzylsulfanyl-1-methylpyridin-1-ium-3-ol Traditional Name: 2-(benzylthio)-1-methyl-pyridin-1-ium-3-ol Formula: C13H14NOS+ MolecularWeight: 232.32136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1SCC2=CC=CC=C2)O

Isomeric SMILES

C[N+]1=CC=CC(=C1SCC2=CC=CC=C2)O

InChI

InChI=1S/C13H13NOS/c1-14-9-5-8-12(15)13(14)16-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3/p+1