[[(E,2S,3R)-2-(dodecanoylamino)-3-oxidanyl-octadec-4-enoxy]-oxidanyl-phosphoryl]oxymethyl-trimethyl-azanium

Systemtic Name: [[(E,2S,3R)-2-(dodecanoylamino)-3-oxidanyl-octadec-4-enoxy]-oxidanyl-phosphoryl]oxymethyl-trimethyl-azanium Openeye Name: [[(E,2S,3R)-2-(dodecanoylamino)-3-hydroxy-octadec-4-enoxy]-hydroxy-phosphoryl]oxymethyl-trimethyl-ammonium CAS Name: [hydroxy-[(E,2S,3R)-3-hydroxy-2-(1-oxododecylamino)octadec-4-enoxy]phosphoryl]oxymethyl-trimethylammonium IUPAC Name: [[(E,2S,3R)-2-(dodecanoylamino)-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxymethyl-trimethylazanium Traditional Name: [hydroxy-[(E,2S,3R)-3-hydroxy-2-(lauroylamino)octadec-4-enoxy]phosphoryl]oxymethyl-trimethyl-ammonium Formula: C34H70N2O6P+ MolecularWeight: 633.903161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)(O)OC[N+](C)(C)C)NC(=O)CCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)OC[N+](C)(C)C)NC(=O)CCCCCCCCCCC)O

InChI

InChI=1S/C34H69N2O6P/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-33(37)32(30-41-43(39,40)42-31-36(3,4)5)35-34(38)29-27-25-23-20-15-13-11-9-7-2/h26,28,32-33,37H,6-25,27,29-31H2,1-5H3,(H-,35,38,39,40)/p+1/b28-26+/t32-,33+/m0/s1