4-methylbenzenesulfonate; 3-methylpyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 3-methylpyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 3-methylpyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 3-methylpyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 3-methylpyridin-1-ium Traditional Name: 3-methylpyridin-1-ium tosylate Formula: C13H15NO3S MolecularWeight: 265.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C[NH+]=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C[NH+]=CC=C1

InChI

InChI=1S/C7H8O3S.C6H7N/c1-6-2-4-7(5-3-6)11(8,9)10;1-6-3-2-4-7-5-6/h2-5H,1H3,(H,8,9,10);2-5H,1H3