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

Systemtic Name: [(2S)-2-(hexanoylamino)-3-hexylsulfanyl-propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2S)-2-(hexanoylamino)-3-hexylsulfanyl-propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2S)-3-(hexylthio)-2-(1-oxohexylamino)propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2S)-2-(hexanoylamino)-3-hexylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2S)-2-(caproylamino)-3-(hexylthio)propyl] 2-(trimethylammonio)ethyl phosphate Formula: C20H43N2O5PS MolecularWeight: 454.604581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H43N2O5PS/c1-6-8-10-12-16-29-18-19(21-20(23)13-11-9-7-2)17-27-28(24,25)26-15-14-22(3,4)5/h19H,6-18H2,1-5H3,(H-,21,23,24,25)/t19-/m0/s1