3-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: 3-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propanoate Openeye Name: 3-(4-isobutylpiperazin-4-ium-1-yl)-3-oxo-propanoate CAS Name: 3-[4-(2-methylpropyl)-1-piperazin-4-iumyl]-3-oxopropanoate IUPAC Name: 3-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-3-oxopropanoate Traditional Name: 3-(4-isobutylpiperazin-4-ium-1-yl)-3-keto-propionate Formula: C11H20N2O3 MolecularWeight: 228.2881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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