3-[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-[2-heptyl-1-(2-hydroxyethyl)-2-imidazolin-1-ium-1-yl]-2-hydroxy-propane-1-sulfonic acid Formula: C15H31N2O5S+ MolecularWeight: 351.48204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NCC[N+]1(CCO)CC(CS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCC1=NCC[N+]1(CCO)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C15H30N2O5S/c1-2-3-4-5-6-7-15-16-8-9-17(15,10-11-18)12-14(19)13-23(20,21)22/h14,18-19H,2-13H2,1H3/p+1