[3-[3-(2-butyloctanoylamino)propyl-dimethyl-azaniumyl]-2-oxidanyl-propyl] hydrogen phosphate

Systemtic Name: [3-[3-(2-butyloctanoylamino)propyl-dimethyl-azaniumyl]-2-oxidanyl-propyl] hydrogen phosphate Openeye Name: [3-[3-(2-butyloctanoylamino)propyl-dimethyl-ammonio]-2-hydroxy-propyl] hydrogen phosphate CAS Name: [3-[3-[(2-butyl-1-oxooctyl)amino]propyl-dimethylammonio]-2-hydroxypropyl] hydrogen phosphate IUPAC Name: [3-[3-(2-butyloctanoylamino)propyl-dimethylazaniumyl]-2-hydroxypropyl] hydrogen phosphate Traditional Name: [3-[3-(2-butyloctanoylamino)propyl-dimethyl-ammonio]-2-hydroxy-propyl] hydrogen phosphate Formula: C20H43N2O6P MolecularWeight: 438.538981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)C(=O)NCCC[N+](C)(C)CC(COP(=O)(O)[O-])O

Isomeric SMILES

CCCCCCC(CCCC)C(=O)NCCC[N+](C)(C)CC(COP(=O)(O)[O-])O

InChI

InChI=1S/C20H43N2O6P/c1-5-7-9-10-13-18(12-8-6-2)20(24)21-14-11-15-22(3,4)16-19(23)17-28-29(25,26)27/h18-19,23H,5-17H2,1-4H3,(H2-,21,24,25,26,27)