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

Systemtic Name: 3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: 3-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Formula: C19H20FN3O3 MolecularWeight: 357.378803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC(=C2)C(=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC(=C2)C(=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN3O3/c20-15-4-6-17(7-5-15)23-10-8-22(9-11-23)13-18(24)21-16-3-1-2-14(12-16)19(25)26/h1-7,12H,8-11,13H2,(H,21,24)(H,25,26)