trimethyl-[(2S)-2-(3-methylbutanoyloxy)-4-oxidanyl-4-oxidanylidene-butyl]azanium

Systemtic Name: trimethyl-[(2S)-2-(3-methylbutanoyloxy)-4-oxidanyl-4-oxidanylidene-butyl]azanium Openeye Name: [(2S)-4-hydroxy-2-(3-methylbutanoyloxy)-4-oxo-butyl]-trimethyl-ammonium CAS Name: [(2S)-4-hydroxy-2-(3-methyl-1-oxobutoxy)-4-oxobutyl]-trimethylammonium IUPAC Name: [(2S)-4-hydroxy-2-(3-methylbutanoyloxy)-4-oxobutyl]-trimethylazanium Traditional Name: [(2S)-4-hydroxy-2-isovaleryloxy-4-keto-butyl]-trimethyl-ammonium Formula: C12H24NO4+ MolecularWeight: 246.32326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3/p+1/t10-/m0/s1