3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonate Openeye Name: 3-[dimethyl(octadecyl)ammonio]propane-1-sulfonate CAS Name: 3-[dimethyl(octadecyl)ammonio]-1-propanesulfonate IUPAC Name: 3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonate Traditional Name: 3-[dimethyl(stearyl)ammonio]propane-1-sulfonate Formula: C23H49NO3S MolecularWeight: 419.70506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C23H49NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)22-20-23-28(25,26)27/h4-23H2,1-3H3