ethyl-octadecyl-bis(oxidanyl)azanium; propane-1-sulfonate

Systemtic Name: ethyl-octadecyl-bis(oxidanyl)azanium; propane-1-sulfonate Openeye Name: ethyl-dihydroxy-octadecyl-ammonium; propane-1-sulfonate CAS Name: ethyl-dihydroxy-octadecylammonium; 1-propanesulfonate IUPAC Name: ethyl-dihydroxy-octadecylazanium; propane-1-sulfonate Traditional Name: ethyl-dihydroxy-stearyl-ammonium; propane-1-sulfonate Formula: C23H51NO5S MolecularWeight: 453.71974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](CC)(O)O.CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](CC)(O)O.CCCS(=O)(=O)[O-]

InChI

InChI=1S/C20H44NO2.C3H8O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22,23)4-2;1-2-3-7(4,5)6/h22-23H,3-20H2,1-2H3;2-3H2,1H3,(H,4,5,6)/q+1;/p-1