4-methylbenzenesulfonate; 1-methyl-2-methylsulfanyl-pyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-2-methylsulfanyl-pyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-methyl-2-methylsulfanyl-pyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-methyl-2-(methylthio)pyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-2-methylsulfanylpyridin-1-ium Traditional Name: 1-methyl-2-(methylthio)pyridin-1-ium tosylate Formula: C14H17NO3S2 MolecularWeight: 311.41968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1SC

InChI

InChI=1S/C7H10NS.C7H8O3S/c1-8-6-4-3-5-7(8)9-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1