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

Systemtic Name: 2-(4-butylpiperazin-4-ium-1-yl)benzoate Openeye Name: 2-(4-butylpiperazin-4-ium-1-yl)benzoate CAS Name: 2-(4-butyl-1-piperazin-4-iumyl)benzoate IUPAC Name: 2-(4-butylpiperazin-4-ium-1-yl)benzoate Traditional Name: 2-(4-butylpiperazin-4-ium-1-yl)benzoate Formula: C15H22N2O2 MolecularWeight: 262.34738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-2-3-8-16-9-11-17(12-10-16)14-7-5-4-6-13(14)15(18)19/h4-7H,2-3,8-12H2,1H3,(H,18,19)