3-[dimethyl-[3-(octadecanoylamino)propyl]azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[dimethyl-[3-(octadecanoylamino)propyl]azaniumyl]propane-1-sulfonate Openeye Name: 3-[dimethyl-[3-(octadecanoylamino)propyl]ammonio]propane-1-sulfonate CAS Name: 3-[dimethyl-[3-(1-oxooctadecylamino)propyl]ammonio]-1-propanesulfonate IUPAC Name: 3-[dimethyl-[3-(octadecanoylamino)propyl]azaniumyl]propane-1-sulfonate Traditional Name: 3-[dimethyl(3-stearamidopropyl)ammonio]propane-1-sulfonate Formula: C26H54N2O4S MolecularWeight: 490.78296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H54N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(29)27-22-19-23-28(2,3)24-20-25-33(30,31)32/h4-25H2,1-3H3,(H-,27,29,30,31,32)