hexyl (2S)-1-(2-hydroxyethyl)aziridin-1-ium-2-carboxylate

Systemtic Name: hexyl (2S)-1-(2-hydroxyethyl)aziridin-1-ium-2-carboxylate Openeye Name: hexyl (2S)-1-(2-hydroxyethyl)aziridin-1-ium-2-carboxylate CAS Name: (2S)-1-(2-hydroxyethyl)-2-aziridin-1-iumcarboxylic acid hexyl ester IUPAC Name: hexyl (2S)-1-(2-hydroxyethyl)aziridin-1-ium-2-carboxylate Traditional Name: (2S)-1-(2-hydroxyethyl)ethylenimin-1-ium-2-carboxylic acid hexyl ester Formula: C11H22NO3+ MolecularWeight: 216.29728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO3/c1-2-3-4-5-8-15-11(14)10-9-12(10)6-7-13/h10,13H,2-9H2,1H3/p+1/t10-,12?/m0/s1