2-[[1-hexadecoxy-3-(octadecanoylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[1-hexadecoxy-3-(octadecanoylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-(hexadecoxymethyl)-2-(octadecanoylamino)ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-hexadecoxy-3-(1-oxooctadecylamino)propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-hexadecoxy-3-(octadecanoylamino)propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(cetyloxymethyl)-2-stearamido-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H88N2O6P+ MolecularWeight: 748.131681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC(COCCCCCCCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(COCCCCCCCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C42H87N2O6P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(45)43-39-41(50-51(46,47)49-38-36-44(3,4)5)40-48-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3,(H-,43,45,46,47)/p+1