2-[[1-icosoxy-3-[(phenylmethyl)carbamoylamino]propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[1-icosoxy-3-[(phenylmethyl)carbamoylamino]propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-[(benzylcarbamoylamino)methyl]-2-icosoxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-eicosoxy-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-(benzylcarbamoylamino)-3-icosoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(arachyloxymethyl)-2-(benzylcarbamoylamino)ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C36H69N3O6P+ MolecularWeight: 670.923321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOCC(CNC(=O)NCC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOCC(CNC(=O)NCC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C36H68N3O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29-43-33-35(45-46(41,42)44-30-28-39(2,3)4)32-38-36(40)37-31-34-26-23-22-24-27-34/h22-24,26-27,35H,5-21,25,28-33H2,1-4H3,(H2-,37,38,40,41,42)/p+1