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

Systemtic Name: trimethyl-[2-[[(E)-2-(nonadecanoylamino)-3-oxidanyl-octadec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[(E)-3-hydroxy-2-(nonadecanoylamino)octadec-4-enoxy]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(E)-3-hydroxy-2-(1-oxononadecylamino)octadec-4-enoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[(E)-3-hydroxy-2-(nonadecanoylamino)octadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[(E)-3-hydroxy-2-(nonadecanoylamino)octadec-4-enoxy]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H86N2O6P+ MolecularWeight: 746.115801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H85N2O6P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-36-42(46)43-40(39-50-51(47,48)49-38-37-44(3,4)5)41(45)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h33,35,40-41,45H,6-32,34,36-39H2,1-5H3,(H-,43,46,47,48)/p+1/b35-33+