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

Systemtic Name: 2-[[1-hexadecoxy-3-[methylcarbamoyl(octadecyl)amino]propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-(hexadecoxymethyl)-2-[methylcarbamoyl(octadecyl)amino]ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-hexadecoxy-3-[methylcarbamoyl(octadecyl)amino]propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-hexadecoxy-3-[methylcarbamoyl(octadecyl)amino]propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(cetyloxymethyl)-2-[methylcarbamoyl(stearyl)amino]ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C44H93N3O6P+ MolecularWeight: 791.199481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H92N3O6P/c1-7-9-11-13-15-17-19-21-23-24-25-27-29-31-33-35-37-46(44(48)45-3)41-43(53-54(49,50)52-40-38-47(4,5)6)42-51-39-36-34-32-30-28-26-22-20-18-16-14-12-10-8-2/h43H,7-42H2,1-6H3,(H-,45,48,49,50)/p+1