(phenylmethyl) 2-[(2S)-2-methyl-1-(2-oxidanylidene-2-phenylmethoxy-ethyl)aziridin-1-ium-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(2S)-2-methyl-1-(2-oxidanylidene-2-phenylmethoxy-ethyl)aziridin-1-ium-1-yl]ethanoate Openeye Name: benzyl 2-[(2S)-1-(2-benzyloxy-2-oxo-ethyl)-2-methyl-aziridin-1-ium-1-yl]acetate CAS Name: 2-[(2S)-2-methyl-1-(2-oxo-2-phenylmethoxyethyl)-1-aziridin-1-iumyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2S)-2-methyl-1-(2-oxo-2-phenylmethoxyethyl)aziridin-1-ium-1-yl]acetate Traditional Name: 2-[(2S)-1-(2-benzoxy-2-keto-ethyl)-2-methyl-ethylenimin-1-ium-1-yl]acetic acid benzyl ester Formula: C21H24NO4+ MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+]1(CC(=O)OCC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C[N+]1(CC(=O)OCC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24NO4/c1-17-12-22(17,13-20(23)25-15-18-8-4-2-5-9-18)14-21(24)26-16-19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3/q+1/t17-/m0/s1