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

Systemtic Name: butyl (2S)-1-(2-methyl-1-oxidanyl-propan-2-yl)aziridin-1-ium-2-carboxylate Openeye Name: butyl (2S)-1-(2-hydroxy-1,1-dimethyl-ethyl)aziridin-1-ium-2-carboxylate CAS Name: (2S)-1-(1-hydroxy-2-methylpropan-2-yl)-2-aziridin-1-iumcarboxylic acid butyl ester IUPAC Name: butyl (2S)-1-(1-hydroxy-2-methylpropan-2-yl)aziridin-1-ium-2-carboxylate Traditional Name: (2S)-1-(2-hydroxy-1,1-dimethyl-ethyl)ethylenimin-1-ium-2-carboxylic acid butyl ester Formula: C11H22NO3+ MolecularWeight: 216.29728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO3/c1-4-5-6-15-10(14)9-7-12(9)11(2,3)8-13/h9,13H,4-8H2,1-3H3/p+1/t9-,12?/m0/s1