4-[4-(3-methylbutyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: 4-[4-(3-methylbutyl)piperazin-4-ium-1-yl]benzoate Openeye Name: 4-(4-isopentylpiperazin-4-ium-1-yl)benzoate CAS Name: 4-[4-(3-methylbutyl)-1-piperazin-4-iumyl]benzoate IUPAC Name: 4-[4-(3-methylbutyl)piperazin-4-ium-1-yl]benzoate Traditional Name: 4-(4-isoamylpiperazin-4-ium-1-yl)benzoate Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-13(2)7-8-17-9-11-18(12-10-17)15-5-3-14(4-6-15)16(19)20/h3-6,13H,7-12H2,1-2H3,(H,19,20)