2-[[1-[hexadecyl(methylcarbamoyl)amino]-3-icosoxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[1-[hexadecyl(methylcarbamoyl)amino]-3-icosoxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-[[hexadecyl(methylcarbamoyl)amino]methyl]-2-icosoxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-eicosoxy-3-[hexadecyl(methylcarbamoyl)amino]propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-[hexadecyl(methylcarbamoyl)amino]-3-icosoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(arachyloxymethyl)-2-[cetyl(methylcarbamoyl)amino]ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C46H97N3O6P+ MolecularWeight: 819.252641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCC)C(=O)NC)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCC)C(=O)NC)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C46H96N3O6P/c1-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-41-53-44-45(55-56(51,52)54-42-40-49(4,5)6)43-48(46(50)47-3)39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-2/h45H,7-44H2,1-6H3,(H-,47,50,51,52)/p+1