(phenylmethyl) (2R)-1-(2-methyl-1-oxidanyl-propan-2-yl)aziridin-1-ium-2-carboxylate

Systemtic Name: (phenylmethyl) (2R)-1-(2-methyl-1-oxidanyl-propan-2-yl)aziridin-1-ium-2-carboxylate Openeye Name: benzyl (2R)-1-(2-hydroxy-1,1-dimethyl-ethyl)aziridin-1-ium-2-carboxylate CAS Name: (2R)-1-(1-hydroxy-2-methylpropan-2-yl)-2-aziridin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-1-(1-hydroxy-2-methylpropan-2-yl)aziridin-1-ium-2-carboxylate Traditional Name: (2R)-1-(2-hydroxy-1,1-dimethyl-ethyl)ethylenimin-1-ium-2-carboxylic acid benzyl ester Formula: C14H20NO3+ MolecularWeight: 250.3135

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)[NH+]1CC1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-14(2,10-16)15-8-12(15)13(17)18-9-11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3/p+1/t12-,15?/m1/s1