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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25NO4.ClH/c1-10(2)6-7-13(17)18-11(8-12(15)16)9-14(3,4)5;/h10-11H,6-9H2,1-5H3;1H/t11-;/m1./s1