[3-dodecylsulfanyl-2-(undecanoylamino)propyl] hydrogen phosphate; 2-hydroxyethyl(trimethyl)azanium

Systemtic Name: [3-dodecylsulfanyl-2-(undecanoylamino)propyl] hydrogen phosphate; 2-hydroxyethyl(trimethyl)azanium Openeye Name: [3-dodecylsulfanyl-2-(undecanoylamino)propyl] hydrogen phosphate; 2-hydroxyethyl(trimethyl)ammonium CAS Name: [3-(dodecylthio)-2-(1-oxoundecylamino)propyl] hydrogen phosphate; 2-hydroxyethyl(trimethyl)ammonium IUPAC Name: [3-dodecylsulfanyl-2-(undecanoylamino)propyl] hydrogen phosphate; 2-hydroxyethyl(trimethyl)azanium Traditional Name: 2-hydroxyethyl(trimethyl)ammonium; [3-(laurylthio)-2-(undecanoylamino)propyl] hydrogen phosphate Formula: C31H67N2O6PS MolecularWeight: 626.912241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(COP(=O)(O)[O-])NC(=O)CCCCCCCCCC.C[N+](C)(C)CCO

Isomeric SMILES

CCCCCCCCCCCCSCC(COP(=O)(O)[O-])NC(=O)CCCCCCCCCC.C[N+](C)(C)CCO

InChI

InChI=1S/C26H54NO5PS.C5H14NO/c1-3-5-7-9-11-13-14-16-18-20-22-34-24-25(23-32-33(29,30)31)27-26(28)21-19-17-15-12-10-8-6-4-2;1-6(2,3)4-5-7/h25H,3-24H2,1-2H3,(H,27,28)(H2,29,30,31);7H,4-5H2,1-3H3/q;+1/p-1