(2R)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-2-phenyl-ethanoate

Systemtic Name: (2R)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-2-phenyl-ethanoate Openeye Name: (2R)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenyl-acetate CAS Name: (2R)-2-(3-oxo-1-piperazin-1-iumyl)-2-phenylacetate IUPAC Name: (2R)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetate Traditional Name: (2R)-2-(3-ketopiperazin-1-ium-1-yl)-2-phenyl-acetate Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC(=O)N1)[C@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C12H14N2O3/c15-10-8-14(7-6-13-10)11(12(16)17)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,13,15)(H,16,17)/t11-/m1/s1