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

Systemtic Name: 2-[[1-[aminocarbonyl(hexadecyl)amino]-3-octadecoxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-[[carbamoyl(hexadecyl)amino]methyl]-2-octadecoxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-[carbamoyl(hexadecyl)amino]-3-octadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-[carbamoyl(hexadecyl)amino]-3-octadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-[[carbamoyl(cetyl)amino]methyl]-2-stearyloxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C43H91N3O6P+ MolecularWeight: 777.172901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H90N3O6P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-38-50-41-42(52-53(48,49)51-39-37-46(3,4)5)40-45(43(44)47)36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3,(H2-,44,47,48,49)/p+1