2,4,6-trimethylpyridin-1-ium-3-sulfonate

Systemtic Name: 2,4,6-trimethylpyridin-1-ium-3-sulfonate Openeye Name: 2,4,6-trimethylpyridin-1-ium-3-sulfonate CAS Name: 2,4,6-trimethyl-3-pyridin-1-iumsulfonate IUPAC Name: 2,4,6-trimethylpyridin-1-ium-3-sulfonate Traditional Name: 2,4,6-trimethylpyridin-1-ium-3-sulfonate Formula: C8H11NO3S MolecularWeight: 201.24284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1S(=O)(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1S(=O)(=O)[O-])C)C

InChI

InChI=1S/C8H11NO3S/c1-5-4-6(2)9-7(3)8(5)13(10,11)12/h4H,1-3H3,(H,10,11,12)