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

Systemtic Name: [3-[dimethyl-[3-(2-pentylnonanoylamino)propyl]azaniumyl]-2-oxidanyl-propyl] hydrogen phosphate Openeye Name: [3-[dimethyl-[3-(2-pentylnonanoylamino)propyl]ammonio]-2-hydroxy-propyl] hydrogen phosphate CAS Name: [3-[dimethyl-[3-[(1-oxo-2-pentylnonyl)amino]propyl]ammonio]-2-hydroxypropyl] hydrogen phosphate IUPAC Name: [3-[dimethyl-[3-(2-pentylnonanoylamino)propyl]azaniumyl]-2-hydroxypropyl] hydrogen phosphate Traditional Name: [3-[3-(2-amylnonanoylamino)propyl-dimethyl-ammonio]-2-hydroxy-propyl] hydrogen phosphate Formula: C22H47N2O6P MolecularWeight: 466.592141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCC)C(=O)NCCC[N+](C)(C)CC(COP(=O)(O)[O-])O

Isomeric SMILES

CCCCCCCC(CCCCC)C(=O)NCCC[N+](C)(C)CC(COP(=O)(O)[O-])O

InChI

InChI=1S/C22H47N2O6P/c1-5-7-9-10-12-15-20(14-11-8-6-2)22(26)23-16-13-17-24(3,4)18-21(25)19-30-31(27,28)29/h20-21,25H,5-19H2,1-4H3,(H2-,23,26,27,28,29)