[(2R)-2,3-di(hexadecanoyloxy)propyl] 2-[dimethyl-[[1,2,6-trimethyl-3,5-bis(oxidanylidene)pyrazolo[1,2-a]pyrazol-7-yl]methyl]azaniumyl]ethyl phosphate

Systemtic Name: [(2R)-2,3-di(hexadecanoyloxy)propyl] 2-[dimethyl-[[1,2,6-trimethyl-3,5-bis(oxidanylidene)pyrazolo[1,2-a]pyrazol-7-yl]methyl]azaniumyl]ethyl phosphate Openeye Name: [(2R)-2,3-di(hexadecanoyloxy)propyl] 2-[dimethyl-[(1,2,6-trimethyl-3,5-dioxo-pyrazolo[1,2-a]pyrazol-7-yl)methyl]ammonio]ethyl phosphate CAS Name: [(2R)-2,3-bis(1-oxohexadecoxy)propyl] 2-[dimethyl-[(1,2,6-trimethyl-3,5-dioxo-7-pyrazolo[1,2-a]pyrazolyl)methyl]ammonio]ethyl phosphate IUPAC Name: [(2R)-2,3-di(hexadecanoyloxy)propyl] 2-[dimethyl-[(1,2,6-trimethyl-3,5-dioxopyrazolo[1,2-a]pyrazol-7-yl)methyl]azaniumyl]ethyl phosphate Traditional Name: [(2R)-2,3-di(hexadecanoyloxy)propyl] 2-[(3,5-diketo-1,2,6-trimethyl-pyrazolo[1,2-a]pyrazol-7-yl)methyl-dimethyl-ammonio]ethyl phosphate Formula: C49H88N3O10P MolecularWeight: 910.210881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)CC1=C(C(=O)N2N1C(=C(C2=O)C)C)C)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)CC1=C(C(=O)N2N1C(=C(C2=O)C)C)C)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C49H88N3O10P/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-46(53)59-39-44(62-47(54)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)40-61-63(57,58)60-37-36-52(6,7)38-45-42(4)49(56)51-48(55)41(3)43(5)50(45)51/h44H,8-40H2,1-7H3/t44-/m1/s1