3-[(3-butoxy-2-oxidanyl-propyl)-dimethyl-azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[(3-butoxy-2-oxidanyl-propyl)-dimethyl-azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[(3-butoxy-2-hydroxy-propyl)-dimethyl-ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[(3-butoxy-2-hydroxypropyl)-dimethylammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[(3-butoxy-2-hydroxypropyl)-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 3-[(3-butoxy-2-hydroxy-propyl)-dimethyl-ammonio]-2-hydroxy-propane-1-sulfonate Formula: C12H27NO6S MolecularWeight: 313.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(C[N+](C)(C)CC(CS(=O)(=O)[O-])O)O

Isomeric SMILES

CCCCOCC(C[N+](C)(C)CC(CS(=O)(=O)[O-])O)O

InChI

InChI=1S/C12H27NO6S/c1-4-5-6-19-9-11(14)7-13(2,3)8-12(15)10-20(16,17)18/h11-12,14-15H,4-10H2,1-3H3