3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate; 3-[hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate; 3-[hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate Openeye Name: 3-[dimethyl(octyl)ammonio]propane-1-sulfonate; 3-[hexadecyl(dimethyl)ammonio]propane-1-sulfonate CAS Name: 3-[dimethyl(octyl)ammonio]-1-propanesulfonate; 3-[hexadecyl(dimethyl)ammonio]-1-propanesulfonate IUPAC Name: 3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate; 3-[hexadecyl(dimethyl)azaniumyl]propane-1-sulfonate Traditional Name: 3-[cetyl(dimethyl)ammonio]propane-1-sulfonate; 3-[dimethyl(octyl)ammonio]propane-1-sulfonate Formula: C34H74N2O6S2 MolecularWeight: 671.09116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-].CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-].CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C21H45NO3S.C13H29NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(2,3)20-18-21-26(23,24)25;1-4-5-6-7-8-9-11-14(2,3)12-10-13-18(15,16)17/h4-21H2,1-3H3;4-13H2,1-3H3