trimethyl-[2-[[1-octadecoxy-3-[(19-oxidanylidene-19-phenylmethoxy-nonadecyl)amino]propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[1-octadecoxy-3-[(19-oxidanylidene-19-phenylmethoxy-nonadecyl)amino]propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[[1-[[(19-benzyloxy-19-oxo-nonadecyl)amino]methyl]-2-octadecoxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[1-octadecoxy-3-[(19-oxo-19-phenylmethoxynonadecyl)amino]propan-2-yl]oxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[1-octadecoxy-3-[(19-oxo-19-phenylmethoxynonadecyl)amino]propan-2-yl]oxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-[[(19-benzoxy-19-keto-nonadecyl)amino]methyl]-2-stearyloxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C52H100N2O7P+ MolecularWeight: 896.333361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CNCCCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CNCCCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C52H99N2O7P/c1-5-6-7-8-9-10-11-12-13-18-21-24-27-30-33-39-45-58-49-51(61-62(56,57)60-46-44-54(2,3)4)47-53-43-38-32-29-26-23-20-17-15-14-16-19-22-25-28-31-37-42-52(55)59-48-50-40-35-34-36-41-50/h34-36,40-41,51,53H,5-33,37-39,42-49H2,1-4H3/p+1