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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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