hexyl (2S)-1-tert-butylaziridin-1-ium-2-carboxylate

Systemtic Name: hexyl (2S)-1-tert-butylaziridin-1-ium-2-carboxylate Openeye Name: hexyl (2S)-1-tert-butylaziridin-1-ium-2-carboxylate CAS Name: (2S)-1-tert-butyl-2-aziridin-1-iumcarboxylic acid hexyl ester IUPAC Name: hexyl (2S)-1-tert-butylaziridin-1-ium-2-carboxylate Traditional Name: (2S)-1-tert-butylethylenimin-1-ium-2-carboxylic acid hexyl ester Formula: C13H26NO2+ MolecularWeight: 228.35104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25NO2/c1-5-6-7-8-9-16-12(15)11-10-14(11)13(2,3)4/h11H,5-10H2,1-4H3/p+1/t11-,14?/m0/s1