(phenylmethyl) 2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanoate Openeye Name: benzyl 2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-2-piperazin-1-iumyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-ketopiperazin-1-ium-2-yl]acetic acid benzyl ester Formula: C13H17N2O3+ MolecularWeight: 249.28568

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CNC(=O)[C@H]([NH2+]1)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H16N2O3/c16-12(8-11-13(17)15-7-6-14-11)18-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,15,17)/p+1/t11-/m1/s1