4-methylbenzenesulfonate; 1-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-methyl-2-methylsulfanyl-oxazolo[5,4-b]pyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-methyl-2-(methylthio)oxazolo[5,4-b]pyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridin-1-ium Traditional Name: 1-methyl-2-(methylthio)oxazolo[5,4-b]pyridin-1-ium tosylate Formula: C15H16N2O4S2 MolecularWeight: 352.42854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(OC2=C1C=CC=N2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(OC2=C1C=CC=N2)SC

InChI

InChI=1S/C8H9N2OS.C7H8O3S/c1-10-6-4-3-5-9-7(6)11-8(10)12-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1