butyl (2S)-1-[(2S)-1-ethoxy-1-oxidanylidene-butan-2-yl]aziridin-1-ium-2-carboxylate

Systemtic Name: butyl (2S)-1-[(2S)-1-ethoxy-1-oxidanylidene-butan-2-yl]aziridin-1-ium-2-carboxylate Openeye Name: butyl (2S)-1-[(1S)-1-ethoxycarbonylpropyl]aziridin-1-ium-2-carboxylate CAS Name: (2S)-1-[(2S)-1-ethoxy-1-oxobutan-2-yl]-2-aziridin-1-iumcarboxylic acid butyl ester IUPAC Name: butyl (2S)-1-[(2S)-1-ethoxy-1-oxobutan-2-yl]aziridin-1-ium-2-carboxylate Traditional Name: (2S)-1-[(1S)-1-carbethoxypropyl]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(CC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C13H23NO4/c1-4-7-8-18-13(16)11-9-14(11)10(5-2)12(15)17-6-3/h10-11H,4-9H2,1-3H3/p+1/t10-,11-,14?/m0/s1