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

Systemtic Name: 4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-(4-isobutylpiperazin-4-ium-1-yl)-4-oxo-butanoate CAS Name: 4-[4-(2-methylpropyl)-1-piperazin-4-iumyl]-4-oxobutanoate IUPAC Name: 4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-4-oxobutanoate Traditional Name: 4-(4-isobutylpiperazin-4-ium-1-yl)-4-keto-butyrate Formula: C12H22N2O3 MolecularWeight: 242.31468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N2O3/c1-10(2)9-13-5-7-14(8-6-13)11(15)3-4-12(16)17/h10H,3-9H2,1-2H3,(H,16,17)