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

Systemtic Name: 2-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]benzoate Openeye Name: 2-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]benzoate CAS Name: 2-[4-(2,2-dimethylpropyl)-1-piperazin-4-iumyl]benzoate IUPAC Name: 2-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]benzoate Traditional Name: 2-(4-neopentylpiperazin-4-ium-1-yl)benzoate Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCN(CC1)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC(C)(C)C[NH+]1CCN(CC1)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C16H24N2O2/c1-16(2,3)12-17-8-10-18(11-9-17)14-7-5-4-6-13(14)15(19)20/h4-7H,8-12H2,1-3H3,(H,19,20)