3-(4-butan-2-ylpyridin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(4-butan-2-ylpyridin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(4-sec-butylpyridin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(4-butan-2-yl-1-pyridin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(4-butan-2-ylpyridin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(4-sec-butylpyridin-1-ium-1-yl)propane-1-sulfonate Formula: C12H19NO3S MolecularWeight: 257.34916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3S/c1-3-11(2)12-5-8-13(9-6-12)7-4-10-17(14,15)16/h5-6,8-9,11H,3-4,7,10H2,1-2H3