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

Systemtic Name: 3-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]propane-1-sulfonate Openeye Name: 3-[dimethyl-[3-(tetradecanoylamino)propyl]ammonio]propane-1-sulfonate CAS Name: 3-[dimethyl-[3-(1-oxotetradecylamino)propyl]ammonio]-1-propanesulfonate IUPAC Name: 3-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]propane-1-sulfonate Traditional Name: 3-[dimethyl-[3-(tetradecanoylamino)propyl]ammonio]propane-1-sulfonate Formula: C22H46N2O4S MolecularWeight: 434.67664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H46N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-17-22(25)23-18-15-19-24(2,3)20-16-21-29(26,27)28/h4-21H2,1-3H3,(H-,23,25,26,27,28)