[1-[hexadecyl(methylcarbamoyl)amino]-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-[hexadecyl(methylcarbamoyl)amino]-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[hexadecyl(methylcarbamoyl)amino]methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[hexadecyl(methylcarbamoyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[hexadecyl(methylcarbamoyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[cetyl(methylcarbamoyl)amino]methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C44H92N3O6P MolecularWeight: 790.191541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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