ethyl 2-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]furan-3-carboxylic acid ethyl ester Formula: C20H24FN2O4+ MolecularWeight: 375.413963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C20H23FN2O4/c1-3-26-20(25)16-6-11-27-19(16)13-22-7-9-23(10-8-22)18-5-4-15(14(2)24)12-17(18)21/h4-6,11-12H,3,7-10,13H2,1-2H3/p+1