2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)acetate CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)acetate IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)acetate Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)acetate Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)[O-])C(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[O-])C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16N2O3/c16-12(17)10-14-6-8-15(9-7-14)13(18)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,17)