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

Systemtic Name: 2-[[1-[hexadecyl(phenylcarbamoyl)amino]-3-octadecoxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-[[hexadecyl(phenylcarbamoyl)amino]methyl]-2-octadecoxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-[[anilino(oxo)methyl]-hexadecylamino]-3-octadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-[hexadecyl(phenylcarbamoyl)amino]-3-octadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-[[cetyl(phenylcarbamoyl)amino]methyl]-2-stearyloxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C49H95N3O6P+ MolecularWeight: 853.268861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCC)C(=O)NC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCC)C(=O)NC1=CC=CC=C1)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C49H94N3O6P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-38-43-56-46-48(58-59(54,55)57-44-42-52(3,4)5)45-51(49(53)50-47-39-35-34-36-40-47)41-37-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h34-36,39-40,48H,6-33,37-38,41-46H2,1-5H3,(H-,50,53,54,55)/p+1