ethyl-dimethyl-[3-[(3-octadecanoyloxy-2-tetradecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxy-3-oxidanyl-propyl]azanium

Systemtic Name: ethyl-dimethyl-[3-[(3-octadecanoyloxy-2-tetradecanoyloxy-propoxy)-oxidanyl-phosphoryl]oxy-3-oxidanyl-propyl]azanium Openeye Name: ethyl-[3-hydroxy-3-[hydroxy-(3-octadecanoyloxy-2-tetradecanoyloxy-propoxy)phosphoryl]oxy-propyl]-dimethyl-ammonium CAS Name: ethyl-[3-hydroxy-3-[hydroxy-[3-(1-oxooctadecoxy)-2-(1-oxotetradecoxy)propoxy]phosphoryl]oxypropyl]-dimethylammonium IUPAC Name: ethyl-[3-hydroxy-3-[hydroxy-(3-octadecanoyloxy-2-tetradecanoyloxypropoxy)phosphoryl]oxypropyl]-dimethylazanium Traditional Name: ethyl-[3-hydroxy-3-[hydroxy-(3-stearoyloxy-2-tetradecanoyloxy-propoxy)phosphoryl]oxy-propyl]-dimethyl-ammonium Formula: C42H85NO9P+ MolecularWeight: 779.099361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H84NO9P/c1-6-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-40(44)49-37-39(38-50-53(47,48)52-42(46)35-36-43(4,5)8-3)51-41(45)34-32-30-28-26-23-18-16-14-12-10-7-2/h39,42,46H,6-38H2,1-5H3/p+1