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

Systemtic Name: [(2S)-2-hexanoyloxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [(2S)-2-hexanoyloxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [(2S)-4-hydroxy-4-oxo-2-(1-oxohexoxy)butyl]-trimethylammonium IUPAC Name: [(2S)-2-hexanoyloxy-4-hydroxy-4-oxobutyl]-trimethylazanium Traditional Name: [(2S)-2-caproyloxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C13H26NO4+ MolecularWeight: 260.34984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/p+1/t11-/m0/s1