[1-icosoxy-3-[methylcarbamoyl(octadecyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-icosoxy-3-[methylcarbamoyl(octadecyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(icosoxymethyl)-2-[methylcarbamoyl(octadecyl)amino]ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-eicosoxy-3-[methylcarbamoyl(octadecyl)amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-icosoxy-3-[methylcarbamoyl(octadecyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(arachyloxymethyl)-2-[methylcarbamoyl(stearyl)amino]ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C48H100N3O6P MolecularWeight: 846.297861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCCCC)C(=O)NC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCCCC)C(=O)NC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C48H100N3O6P/c1-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-43-55-46-47(57-58(53,54)56-44-42-51(4,5)6)45-50(48(52)49-3)41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-2/h47H,7-46H2,1-6H3,(H-,49,52,53,54)