butyl (2S)-1-(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)aziridin-1-ium-2-carboxylate

Systemtic Name: butyl (2S)-1-(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)aziridin-1-ium-2-carboxylate Openeye Name: butyl (2S)-1-(2-ethoxy-1,1-dimethyl-2-oxo-ethyl)aziridin-1-ium-2-carboxylate CAS Name: (2S)-1-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-2-aziridin-1-iumcarboxylic acid butyl ester IUPAC Name: butyl (2S)-1-(1-ethoxy-2-methyl-1-oxopropan-2-yl)aziridin-1-ium-2-carboxylate Traditional Name: (2S)-1-(2-ethoxy-2-keto-1,1-dimethyl-ethyl)ethylenimin-1-ium-2-carboxylic acid butyl ester Formula: C13H24NO4+ MolecularWeight: 258.33396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C[NH+]1C(C)(C)C(=O)OCC

Isomeric SMILES

CCCCOC(=O)[C@@H]1C[NH+]1C(C)(C)C(=O)OCC

InChI

InChI=1S/C13H23NO4/c1-5-7-8-18-11(15)10-9-14(10)13(3,4)12(16)17-6-2/h10H,5-9H2,1-4H3/p+1/t10-,14?/m0/s1