2-[4-(3-cyclohexylpropyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: 2-[4-(3-cyclohexylpropyl)piperazin-4-ium-1-yl]benzoate Openeye Name: 2-[4-(3-cyclohexylpropyl)piperazin-4-ium-1-yl]benzoate CAS Name: 2-[4-(3-cyclohexylpropyl)-1-piperazin-4-iumyl]benzoate IUPAC Name: 2-[4-(3-cyclohexylpropyl)piperazin-4-ium-1-yl]benzoate Traditional Name: 2-[4-(3-cyclohexylpropyl)piperazin-4-ium-1-yl]benzoate Formula: C20H30N2O2 MolecularWeight: 330.4644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC[NH+]2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCC[NH+]2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C20H30N2O2/c23-20(24)18-10-4-5-11-19(18)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h4-5,10-11,17H,1-3,6-9,12-16H2,(H,23,24)