[1-hexadecoxy-3-(hexadecylcarbamoylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-hexadecoxy-3-(hexadecylcarbamoylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(hexadecoxymethyl)-2-(hexadecylcarbamoylamino)ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hexadecoxy-3-[[(hexadecylamino)-oxomethyl]amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-hexadecoxy-3-(hexadecylcarbamoylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[(cetylcarbamoylamino)methyl]-2-cetyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C41H86N3O6P MolecularWeight: 748.111801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)NCC(COCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)NCC(COCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C41H86N3O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42-41(45)43-38-40(50-51(46,47)49-37-35-44(3,4)5)39-48-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3,(H2-,42,43,45,46,47)