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

Systemtic Name: 2-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethanoate Openeye Name: 2-(4-isobutylpiperazin-4-ium-1-yl)-2-oxo-acetate CAS Name: 2-[4-(2-methylpropyl)-1-piperazin-4-iumyl]-2-oxoacetate IUPAC Name: 2-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-2-oxoacetate Traditional Name: 2-(4-isobutylpiperazin-4-ium-1-yl)-2-keto-acetate Formula: C10H18N2O3 MolecularWeight: 214.26152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18N2O3/c1-8(2)7-11-3-5-12(6-4-11)9(13)10(14)15/h8H,3-7H2,1-2H3,(H,14,15)