2-[[3-(docosanoylamino)-2-propoxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[3-(docosanoylamino)-2-propoxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3-(docosanoylamino)-2-propoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-oxodocosylamino)-2-propoxypropoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3-(docosanoylamino)-2-propoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3-(docosanoylamino)-2-propoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C33H70N2O6P+ MolecularWeight: 621.892461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OCCC

InChI

InChI=1S/C33H69N2O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-33(36)34-30-32(39-28-7-2)31-41-42(37,38)40-29-27-35(3,4)5/h32H,6-31H2,1-5H3,(H-,34,36,37,38)/p+1