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

Systemtic Name: [1-octadecoxy-3-(octadecylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(octadecoxymethyl)-2-(octadecylamino)ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-octadecoxy-3-(octadecylamino)propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-octadecoxy-3-(octadecylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[(stearylamino)methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C44H93N2O5P MolecularWeight: 761.193381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCC(COCCCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCC(COCCCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

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