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

Systemtic Name: 4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]benzoate Openeye Name: 4-(4-isobutylpiperazin-4-ium-1-yl)benzoate CAS Name: 4-[4-(2-methylpropyl)-1-piperazin-4-iumyl]benzoate IUPAC Name: 4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]benzoate Traditional Name: 4-(4-isobutylpiperazin-4-ium-1-yl)benzoate Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H22N2O2/c1-12(2)11-16-7-9-17(10-8-16)14-5-3-13(4-6-14)15(18)19/h3-6,12H,7-11H2,1-2H3,(H,18,19)