2-[[(2R)-2-[(Z)-icos-9-enoyl]oxy-3-octadecoxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-2-[(Z)-icos-9-enoyl]oxy-3-octadecoxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[hydroxy-[(2R)-2-[(Z)-icos-9-enoyl]oxy-3-octadecoxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2R)-3-octadecoxy-2-[(Z)-1-oxoeicos-9-enoxy]propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[(2R)-2-[(Z)-icos-9-enoyl]oxy-3-octadecoxypropoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-2-[(Z)-eicos-9-enoyl]oxy-3-stearyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C46H93NO7P+ MolecularWeight: 803.206881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCCCC

InChI

InChI=1S/C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h24-25,45H,6-23,26-44H2,1-5H3/p+1/b25-24-/t45-/m1/s1