2-[[(2S)-2-(heptanoylamino)-3-hexadecylsulfanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2S)-2-(heptanoylamino)-3-hexadecylsulfanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2S)-2-(heptanoylamino)-3-hexadecylsulfanyl-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2S)-3-(hexadecylthio)-2-(1-oxoheptylamino)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2S)-2-(heptanoylamino)-3-hexadecylsulfanylpropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2S)-3-(cetylthio)-2-(enanthylamino)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C31H66N2O5PS+ MolecularWeight: 609.904901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCSC[C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCC

InChI

InChI=1S/C31H65N2O5PS/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-27-40-29-30(32-31(34)24-22-11-9-7-2)28-38-39(35,36)37-26-25-33(3,4)5/h30H,6-29H2,1-5H3,(H-,32,34,35,36)/p+1/t30-/m0/s1