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

Systemtic Name: (phenylmethyl) 2-[(2S)-2-methyl-1-(2-oxidanylidene-2-phenylmethoxy-ethyl)aziridin-1-ium-1-yl]ethanoate bromide Openeye Name: benzyl 2-[(2S)-1-(2-benzyloxy-2-oxo-ethyl)-2-methyl-aziridin-1-ium-1-yl]acetate bromide CAS Name: 2-[(2S)-2-methyl-1-(2-oxo-2-phenylmethoxyethyl)-1-aziridin-1-iumyl]acetic acid (phenylmethyl) ester bromide IUPAC Name: benzyl 2-[(2S)-2-methyl-1-(2-oxo-2-phenylmethoxyethyl)aziridin-1-ium-1-yl]acetate bromide Traditional Name: 2-[(2S)-1-(2-benzoxy-2-keto-ethyl)-2-methyl-ethylenimin-1-ium-1-yl]acetic acid benzyl ester bromide Formula: C21H24BrNO4 MolecularWeight: 434.32356

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24NO4.BrH/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;1H/q+1;/p-1/t17-;/m0./s1