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

Systemtic Name: [1-(hexadecylamino)-3-icosoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[(hexadecylamino)methyl]-2-icosoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-eicosoxy-3-(hexadecylamino)propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-(hexadecylamino)-3-icosoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(arachyloxymethyl)-2-(cetylamino)ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C44H93N2O5P MolecularWeight: 761.193381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H93N2O5P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-40-49-43-44(51-52(47,48)50-41-39-46(3,4)5)42-45-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h44-45H,6-43H2,1-5H3