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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

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