2-[6-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxyethanoate

Systemtic Name: 2-[6-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxyethanoate Openeye Name: 2-[6-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-pyran-3-yl]oxyacetate CAS Name: 2-[[6-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-pyranyl]oxy]acetate IUPAC Name: 2-[6-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxopyran-3-yl]oxyacetate Traditional Name: 2-[6-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-keto-pyran-3-yl]oxyacetate Formula: C18H19FN2O5 MolecularWeight: 362.352263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC(=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC(=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN2O5/c19-13-1-3-14(4-2-13)21-7-5-20(6-8-21)10-15-9-16(22)17(11-25-15)26-12-18(23)24/h1-4,9,11H,5-8,10,12H2,(H,23,24)