[(2S,3S)-2-(hexanoylamino)-3-oxidanyl-decyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2S,3S)-2-(hexanoylamino)-3-oxidanyl-decyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S,3S)-2-(hexanoylamino)-3-hydroxy-decyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S,3S)-3-hydroxy-2-(1-oxohexylamino)decyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S,3S)-2-(hexanoylamino)-3-hydroxydecyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S,3S)-2-(caproylamino)-3-hydroxy-decyl] 2-(trimethylammonio)ethyl phosphate Formula: C21H45N2O6P MolecularWeight: 452.565561

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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)/t19-,20-/m0/s1