2-[[(E,2S,3S)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(E,2S,3S)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(E,2S,3S)-2-(hexanoylamino)-3-hydroxy-dec-4-enoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(E,2S,3S)-3-hydroxy-2-(1-oxohexylamino)dec-4-enoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(E,2S,3S)-2-(hexanoylamino)-3-hydroxydec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(E,2S,3S)-2-(caproylamino)-3-hydroxy-dec-4-enoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C21H44N2O6P+ MolecularWeight: 451.557621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C(COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)O

Isomeric SMILES

CCCCC/C=C/[C@@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)O

InChI

InChI=1S/C21H43N2O6P/c1-6-8-10-11-13-14-20(24)19(22-21(25)15-12-9-7-2)18-29-30(26,27)28-17-16-23(3,4)5/h13-14,19-20,24H,6-12,15-18H2,1-5H3,(H-,22,25,26,27)/p+1/b14-13+/t19-,20-/m0/s1