5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-furoate Formula: C16H17FN2O3 MolecularWeight: 304.316183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)C(=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)C(=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C16H17FN2O3/c17-12-1-3-13(4-2-12)19-9-7-18(8-10-19)11-14-5-6-15(22-14)16(20)21/h1-6H,7-11H2,(H,20,21)