3-(2-butyloctanoylamino)propyl-dimethyl-(2-oxidanyl-3-phosphonooxy-propyl)azanium

Systemtic Name: 3-(2-butyloctanoylamino)propyl-dimethyl-(2-oxidanyl-3-phosphonooxy-propyl)azanium Openeye Name: 3-(2-butyloctanoylamino)propyl-(2-hydroxy-3-phosphonooxy-propyl)-dimethyl-ammonium CAS Name: 3-[(2-butyl-1-oxooctyl)amino]propyl-(2-hydroxy-3-phosphonooxypropyl)-dimethylammonium IUPAC Name: 3-(2-butyloctanoylamino)propyl-(2-hydroxy-3-phosphonooxypropyl)-dimethylazanium Traditional Name: 3-(2-butyloctanoylamino)propyl-(2-hydroxy-3-phosphonooxy-propyl)-dimethyl-ammonium Formula: C20H44N2O6P+ MolecularWeight: 439.546921

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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)/p+1