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

Systemtic Name: 2-[[1-hexadecoxy-3-[hexadecyl(methylcarbamoyl)amino]propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-(hexadecoxymethyl)-2-[hexadecyl(methylcarbamoyl)amino]ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-hexadecoxy-3-[hexadecyl(methylcarbamoyl)amino]propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-hexadecoxy-3-[hexadecyl(methylcarbamoyl)amino]propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-[[cetyl(methylcarbamoyl)amino]methyl]-2-cetyloxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H89N3O6P+ MolecularWeight: 763.146321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CC(COCCCCCCCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C)C(=O)NC

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CC(COCCCCCCCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C)C(=O)NC

InChI

InChI=1S/C42H88N3O6P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44(42(46)43-3)39-41(51-52(47,48)50-38-36-45(4,5)6)40-49-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h41H,7-40H2,1-6H3,(H-,43,46,47,48)/p+1