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

Systemtic Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzoate Formula: C18H19FN2O2 MolecularWeight: 314.354063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC(=C2)C(=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC(=C2)C(=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN2O2/c19-16-4-6-17(7-5-16)21-10-8-20(9-11-21)13-14-2-1-3-15(12-14)18(22)23/h1-7,12H,8-11,13H2,(H,22,23)