2-[[(2S,3S)-2-(hexanoylamino)-3-oxidanyl-decoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2S,3S)-2-(hexanoylamino)-3-oxidanyl-decoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S,3S)-2-(hexanoylamino)-3-hydroxy-decoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(2S,3S)-3-hydroxy-2-(1-oxohexylamino)decoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S,3S)-2-(hexanoylamino)-3-hydroxydecoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S,3S)-2-(caproylamino)-3-hydroxy-decoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C21H46N2O6P+ MolecularWeight: 453.573501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H45N2O6P/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/h19-20,24H,6-18H2,1-5H3,(H-,22,25,26,27)/p+1/t19-,20-/m0/s1