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

Systemtic Name: (phenylmethyl) (2S)-1-(2-hydroxyethyl)aziridin-1-ium-2-carboxylate Openeye Name: benzyl (2S)-1-(2-hydroxyethyl)aziridin-1-ium-2-carboxylate CAS Name: (2S)-1-(2-hydroxyethyl)-2-aziridin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-(2-hydroxyethyl)aziridin-1-ium-2-carboxylate Traditional Name: (2S)-1-(2-hydroxyethyl)ethylenimin-1-ium-2-carboxylic acid benzyl ester Formula: C12H16NO3+ MolecularWeight: 222.26034

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+]1CCO)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1[C@H]([NH+]1CCO)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H15NO3/c14-7-6-13-8-11(13)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/p+1/t11-,13?/m0/s1