2-(tert-butylazaniumyl)ethyl [2-ethoxy-3-(icosanoylamino)propyl] phosphate

Systemtic Name: 2-(tert-butylazaniumyl)ethyl [2-ethoxy-3-(icosanoylamino)propyl] phosphate Openeye Name: 2-(tert-butylammonio)ethyl [2-ethoxy-3-(icosanoylamino)propyl] phosphate CAS Name: 2-(tert-butylammonio)ethyl [2-ethoxy-3-(1-oxoeicosylamino)propyl] phosphate IUPAC Name: 2-(tert-butylazaniumyl)ethyl [2-ethoxy-3-(icosanoylamino)propyl] phosphate Traditional Name: 2-(tert-butylammonio)ethyl [3-(eicosanoylamino)-2-ethoxy-propyl] phosphate Formula: C31H65N2O6P MolecularWeight: 592.831361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[NH2+]C(C)(C)C)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[NH2+]C(C)(C)C)OCC

InChI

InChI=1S/C31H65N2O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(34)32-27-29(37-7-2)28-39-40(35,36)38-26-25-33-31(3,4)5/h29,33H,6-28H2,1-5H3,(H,32,34)(H,35,36)