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

Systemtic Name: 3-[dimethyl(1-phenyltridecyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[dimethyl(1-phenyltridecyl)ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[dimethyl(1-phenyltridecyl)ammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[dimethyl(1-phenyltridecyl)azaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 3-[dimethyl(1-phenyltridecyl)ammonio]-2-hydroxy-propane-1-sulfonate Formula: C24H43NO4S MolecularWeight: 441.66752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(C)CC(CS(=O)(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(C)CC(CS(=O)(=O)[O-])O

InChI

InChI=1S/C24H43NO4S/c1-4-5-6-7-8-9-10-11-12-16-19-24(22-17-14-13-15-18-22)25(2,3)20-23(26)21-30(27,28)29/h13-15,17-18,23-24,26H,4-12,16,19-21H2,1-3H3