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

Systemtic Name: hexyl (2S)-1-[(2S)-1-ethoxy-1-oxidanylidene-butan-2-yl]aziridin-1-ium-2-carboxylate Openeye Name: hexyl (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 hexyl ester IUPAC Name: hexyl (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 hexyl ester Formula: C15H28NO4+ MolecularWeight: 286.38712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27NO4/c1-4-7-8-9-10-20-15(18)13-11-16(13)12(5-2)14(17)19-6-3/h12-13H,4-11H2,1-3H3/p+1/t12-,13-,16?/m0/s1