[(E,2R)-2-(hexadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(E,2R)-2-(hexadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(E,2R)-2-(hexadecanoylamino)octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(E,2R)-2-(1-oxohexadecylamino)octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(E,2R)-2-(hexadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(E,2R)-2-palmitamidooctadec-4-enyl] 2-(trimethylammonio)ethyl phosphate Formula: C39H79N2O5P MolecularWeight: 687.028721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CC=CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@H](C/C=C/CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C39H79N2O5P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-38(37-46-47(43,44)45-36-35-41(3,4)5)40-39(42)34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h29,31,38H,6-28,30,32-37H2,1-5H3,(H-,40,42,43,44)/b31-29+/t38-/m1/s1