2-[[(E,2R)-2-(hexadecanoylamino)octadec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(E,2R)-2-(hexadecanoylamino)octadec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(E,2R)-2-(hexadecanoylamino)octadec-4-enoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(E,2R)-2-(1-oxohexadecylamino)octadec-4-enoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(E,2R)-2-(hexadecanoylamino)octadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[(E,2R)-2-palmitamidooctadec-4-enoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C39H80N2O5P+ MolecularWeight: 688.036661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CC=CCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@H](C/C=C/CCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C39H79N2O5P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-38(37-46-47(43,44)45-36-35-41(3,4)5)40-39(42)34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h29,31,38H,6-28,30,32-37H2,1-5H3,(H-,40,42,43,44)/p+1/b31-29+/t38-/m1/s1