[3-(dodecanoylamino)-2-octoxy-propyl] 3-(trimethylazaniumyl)propyl phosphate

Systemtic Name: [3-(dodecanoylamino)-2-octoxy-propyl] 3-(trimethylazaniumyl)propyl phosphate Openeye Name: [3-(dodecanoylamino)-2-octoxy-propyl] 3-(trimethylammonio)propyl phosphate CAS Name: [2-octoxy-3-(1-oxododecylamino)propyl] 3-(trimethylammonio)propyl phosphate IUPAC Name: [3-(dodecanoylamino)-2-octoxypropyl] 3-(trimethylazaniumyl)propyl phosphate Traditional Name: [3-(lauroylamino)-2-octoxy-propyl] 3-(trimethylammonio)propyl phosphate Formula: C29H61N2O6P MolecularWeight: 564.778201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCCC[N+](C)(C)C)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCCC[N+](C)(C)C)OCCCCCCCC

InChI

InChI=1S/C29H61N2O6P/c1-6-8-10-12-14-15-16-17-19-22-29(32)30-26-28(35-24-20-18-13-11-9-7-2)27-37-38(33,34)36-25-21-23-31(3,4)5/h28H,6-27H2,1-5H3,(H-,30,32,33,34)