2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(3-methyl-1-oxobutyl)-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-(4-isovalerylpiperazin-1-ium-1-yl)acetate Formula: C11H20N2O3 MolecularWeight: 228.2881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CC(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CC(=O)[O-]

InChI

InChI=1S/C11H20N2O3/c1-9(2)7-10(14)13-5-3-12(4-6-13)8-11(15)16/h9H,3-8H2,1-2H3,(H,15,16)