[(2R)-2-hexanoyloxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium chloride

Systemtic Name: [(2R)-2-hexanoyloxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium chloride Openeye Name: [(2R)-2-hexanoyloxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium chloride CAS Name: [(2R)-4-hydroxy-4-oxo-2-(1-oxohexoxy)butyl]-trimethylammonium chloride IUPAC Name: [(2R)-2-hexanoyloxy-4-hydroxy-4-oxobutyl]-trimethylazanium chloride Traditional Name: [(2R)-2-caproyloxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium chloride Formula: C13H26ClNO4 MolecularWeight: 295.80284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]

Isomeric SMILES

CCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C13H25NO4.ClH/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4;/h11H,5-10H2,1-4H3;1H/t11-;/m1./s1