trimethyl-[2-[(3-octadecanoyloxy-2-oxidanyl-4-oxidanylidene-henicosoxy)-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[(3-octadecanoyloxy-2-oxidanyl-4-oxidanylidene-henicosoxy)-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-(2-hydroxy-3-octadecanoyloxy-4-oxo-henicosoxy)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-hydroxy-4-oxo-3-(1-oxooctadecoxy)heneicosoxy]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-(2-hydroxy-3-octadecanoyloxy-4-oxohenicosoxy)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-(2-hydroxy-4-keto-3-stearoyloxy-heneicosoxy)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H89NO8P+ MolecularWeight: 791.153121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(COP(=O)(O)OCC[N+](C)(C)C)O)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(COP(=O)(O)OCC[N+](C)(C)C)O)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(46)44(42(47)40-52-54(49,50)51-39-38-45(3,4)5)53-43(48)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42,44,47H,6-40H2,1-5H3/p+1