2-[[(2R)-2-(hexadecanoylamino)-3-(16-phenylhexadecoxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-2-(hexadecanoylamino)-3-(16-phenylhexadecoxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R)-2-(hexadecanoylamino)-3-(16-phenylhexadecoxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2R)-2-(1-oxohexadecylamino)-3-(16-phenylhexadecoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R)-2-(hexadecanoylamino)-3-(16-phenylhexadecoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[(2R)-2-palmitamido-3-(16-phenylhexadecoxy)propoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C46H88N2O6P+ MolecularWeight: 796.174481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(COCCCCCCCCCCCCCCCCC1=CC=CC=C1)COP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@H](COCCCCCCCCCCCCCCCCC1=CC=CC=C1)COP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C46H87N2O6P/c1-5-6-7-8-9-10-11-14-18-21-24-27-33-38-46(49)47-45(43-54-55(50,51)53-41-39-48(2,3)4)42-52-40-34-28-25-22-19-16-13-12-15-17-20-23-26-30-35-44-36-31-29-32-37-44/h29,31-32,36-37,45H,5-28,30,33-35,38-43H2,1-4H3,(H-,47,49,50,51)/p+1/t45-/m1/s1