4-(4-cyclopentylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)benzoate Openeye Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)benzoate CAS Name: 4-(4-cyclopentyl-1-piperazin-4-iumyl)benzoate IUPAC Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)benzoate Traditional Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)benzoate Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H22N2O2/c19-16(20)13-5-7-15(8-6-13)18-11-9-17(10-12-18)14-3-1-2-4-14/h5-8,14H,1-4,9-12H2,(H,19,20)