[(2R)-2,3-dihexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate dihydrate

Systemtic Name: [(2R)-2,3-dihexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate dihydrate Openeye Name: [(2R)-2,3-dihexadecoxypropyl] 2-(trimethylammonio)ethyl phosphate dihydrate CAS Name: [(2R)-2,3-dihexadecoxypropyl] 2-(trimethylammonio)ethyl phosphate dihydrate IUPAC Name: [(2R)-2,3-dihexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate dihydrate Traditional Name: [(2R)-2,3-dicetyloxypropyl] 2-(trimethylammonio)ethyl phosphate dihydrate Formula: C40H88NO8P MolecularWeight: 742.102381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCC.O.O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCC.O.O

InChI

InChI=1S/C40H84NO6P.2H2O/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-44-38-40(39-47-48(42,43)46-37-34-41(3,4)5)45-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;;/h40H,6-39H2,1-5H3;2*1H2/t40-;;/m1../s1