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

Systemtic Name: 2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanoate Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-acetate CAS Name: 2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]acetate IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoacetate Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-acetate Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(=O)[O-]

InChI

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