2-[[(2R)-2,3-bis(8-cyanohexadecanoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R)-2,3-bis(8-cyanohexadecanoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R)-2,3-bis(8-cyanohexadecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2R)-2,3-bis(8-cyano-1-oxohexadecoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R)-2,3-bis(8-cyanohexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R)-2,3-bis(8-cyanohexadecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H79N3O8P+ MolecularWeight: 785.065721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC(CCCCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCCC(CCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC(CCCCCCCC)C#N)C#N

InChI

InChI=1S/C42H78N3O8P/c1-6-8-10-12-14-20-26-38(34-43)28-22-16-18-24-30-41(46)50-36-40(37-52-54(48,49)51-33-32-45(3,4)5)53-42(47)31-25-19-17-23-29-39(35-44)27-21-15-13-11-9-7-2/h38-40H,6-33,36-37H2,1-5H3/p+1/t38?,39?,40-/m1/s1