3-(2,6-dimethylpyridin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(2,6-dimethylpyridin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(2,6-dimethylpyridin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(2,6-dimethyl-1-pyridin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(2,6-dimethylpyridin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(2,6-dimethylpyridin-1-ium-1-yl)propane-1-sulfonate Formula: C10H15NO3S MolecularWeight: 229.296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC=C1)C)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C(=CC=C1)C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C10H15NO3S/c1-9-5-3-6-10(2)11(9)7-4-8-15(12,13)14/h3,5-6H,4,7-8H2,1-2H3