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

Systemtic Name: 5-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate Openeye Name: 5-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]ethyl]-2-furancarboxylate IUPAC Name: 5-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-2-furoate Formula: C17H19FN2O3 MolecularWeight: 318.342763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)[O-])[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)[O-])[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C17H19FN2O3/c1-12(15-6-7-16(23-15)17(21)22)19-8-10-20(11-9-19)14-5-3-2-4-13(14)18/h2-7,12H,8-11H2,1H3,(H,21,22)/t12-/m0/s1