2-[1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[1-(2,2-dimethylpropyl)-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-(3-keto-1-neopentyl-piperazin-1-ium-2-yl)acetate Formula: C11H20N2O3 MolecularWeight: 228.2881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCNC(=O)C1CC(=O)[O-]

Isomeric SMILES

CC(C)(C)C[NH+]1CCNC(=O)C1CC(=O)[O-]

InChI

InChI=1S/C11H20N2O3/c1-11(2,3)7-13-5-4-12-10(16)8(13)6-9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)