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

Systemtic Name: 2-[4-(2-methylpropyl)piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: 2-(4-isobutylpiperazin-4-ium-1-carbonyl)benzoate CAS Name: 2-[[4-(2-methylpropyl)-1-piperazin-4-iumyl]-oxomethyl]benzoate IUPAC Name: 2-[4-(2-methylpropyl)piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 2-(4-isobutylpiperazin-4-ium-1-carbonyl)benzoate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-12(2)11-17-7-9-18(10-8-17)15(19)13-5-3-4-6-14(13)16(20)21/h3-6,12H,7-11H2,1-2H3,(H,20,21)