trimethyl-[2-[oxidanyl-(2-pentadecanoyloxy-3-tricosanoyloxy-propoxy)phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[oxidanyl-(2-pentadecanoyloxy-3-tricosanoyloxy-propoxy)phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-(2-pentadecanoyloxy-3-tricosanoyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-oxopentadecoxy)-3-(1-oxotricosoxy)propoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-(2-pentadecanoyloxy-3-tricosanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-(2-pentadecanoyloxy-3-tricosanoyloxy-propoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C46H93NO8P+ MolecularWeight: 819.206281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC

InChI

InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-28-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/p+1