4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]benzoate

Systemtic Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]benzoate Openeye Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]benzoate CAS Name: 4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]benzoate IUPAC Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]benzoate Formula: C18H19FN2O2 MolecularWeight: 314.354063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)C(=O)[O-]

InChI

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