2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethanoate

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethanoate Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-acetate CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-2-oxoacetate IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetate Traditional Name: 2-keto-2-(4-methylpiperazin-4-ium-1-yl)acetate Formula: C7H12N2O3 MolecularWeight: 172.18178

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C(=O)[O-]

InChI

InChI=1S/C7H12N2O3/c1-8-2-4-9(5-3-8)6(10)7(11)12/h2-5H2,1H3,(H,11,12)