[(2S)-3-hexylsulfanyl-2-(octanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2S)-3-hexylsulfanyl-2-(octanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-3-hexylsulfanyl-2-(octanoylamino)propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-3-(hexylthio)-2-(1-oxooctylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-3-hexylsulfanyl-2-(octanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-2-(caprylylamino)-3-(hexylthio)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C22H47N2O5PS MolecularWeight: 482.657741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)CSCCCCCC

InChI

InChI=1S/C22H47N2O5PS/c1-6-8-10-12-13-15-22(25)23-21(20-31-18-14-11-9-7-2)19-29-30(26,27)28-17-16-24(3,4)5/h21H,6-20H2,1-5H3,(H-,23,25,26,27)/t21-/m0/s1