[1-(hexadecylamino)-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-(hexadecylamino)-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[(hexadecylamino)methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-(hexadecylamino)-3-octadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-(hexadecylamino)-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[(cetylamino)methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H89N2O5P MolecularWeight: 733.140221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CNCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CNCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C42H89N2O5P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-38-47-41-42(49-50(45,46)48-39-37-44(3,4)5)40-43-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h42-43H,6-41H2,1-5H3