3-[methylcarbamothioyl(octadecyl)amino]propyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: 3-[methylcarbamothioyl(octadecyl)amino]propyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: 3-[methylcarbamothioyl(octadecyl)amino]propyl 2-(trimethylammonio)ethyl phosphate CAS Name: 3-[[methylamino(sulfanylidene)methyl]-octadecylamino]propyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: 3-[methylcarbamothioyl(octadecyl)amino]propyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: 3-[methylthiocarbamoyl(stearyl)amino]propyl 2-(trimethylammonio)ethyl phosphate Formula: C28H60N3O4PS MolecularWeight: 565.832461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCOP(=O)([O-])OCC[N+](C)(C)C)C(=S)NC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCOP(=O)([O-])OCC[N+](C)(C)C)C(=S)NC

InChI

InChI=1S/C28H60N3O4PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30(28(37)29-2)24-22-26-34-36(32,33)35-27-25-31(3,4)5/h6-27H2,1-5H3,(H-,29,32,33,37)