2-(4-cyclopentylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: 2-(4-cyclopentylpiperazin-4-ium-1-yl)benzoate Openeye Name: 2-(4-cyclopentylpiperazin-4-ium-1-yl)benzoate CAS Name: 2-(4-cyclopentyl-1-piperazin-4-iumyl)benzoate IUPAC Name: 2-(4-cyclopentylpiperazin-4-ium-1-yl)benzoate Traditional Name: 2-(4-cyclopentylpiperazin-4-ium-1-yl)benzoate Formula: C16H22N2O2 MolecularWeight: 274.35808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C16H22N2O2/c19-16(20)14-7-3-4-8-15(14)18-11-9-17(10-12-18)13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12H2,(H,19,20)