trimethyl-[2-[[(E)-2-(nonadecanoylamino)-3-octadecanoyloxy-octadec-4-enoxy]-octadecanoyloxy-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[(E)-2-(nonadecanoylamino)-3-octadecanoyloxy-octadec-4-enoxy]-octadecanoyloxy-phosphoryl]oxyethyl]azanium Openeye Name: trimethyl-[2-[[(E)-2-(nonadecanoylamino)-3-octadecanoyloxy-octadec-4-enoxy]-octadecanoyloxy-phosphoryl]oxyethyl]ammonium CAS Name: trimethyl-[2-[[(E)-2-(1-oxononadecylamino)-3-(1-oxooctadecoxy)octadec-4-enoxy]-(1-oxooctadecoxy)phosphoryl]oxyethyl]ammonium IUPAC Name: trimethyl-[2-[[(E)-2-(nonadecanoylamino)-3-octadecanoyloxyoctadec-4-enoxy]-octadecanoyloxyphosphoryl]oxyethyl]azanium Traditional Name: trimethyl-[2-[[(E)-2-(nonadecanoylamino)-3-stearoyloxy-octadec-4-enoxy]-stearoyloxy-phosphoryl]oxyethyl]ammonium Formula: C78H154N2O8P+ MolecularWeight: 1279.039721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC)C(C=CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)(OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC)C(/C=C/CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C78H153N2O8P/c1-8-12-16-20-24-28-32-36-39-42-44-48-52-56-60-64-68-76(81)79-74(73-86-89(84,85-72-71-80(5,6)7)88-78(83)70-66-62-58-54-50-46-41-38-34-30-26-22-18-14-10-3)75(67-63-59-55-51-47-43-35-31-27-23-19-15-11-4)87-77(82)69-65-61-57-53-49-45-40-37-33-29-25-21-17-13-9-2/h63,67,74-75H,8-62,64-66,68-73H2,1-7H3/p+1/b67-63+