2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenylmethoxy-pyran-4-one

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenylmethoxy-pyran-4-one Openeye Name: 5-benzyloxy-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-phenylmethoxy-4-pyranone IUPAC Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenylmethoxypyran-4-one Traditional Name: 5-benzoxy-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Formula: C23H24FN2O3+ MolecularWeight: 395.446663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN2O3/c24-19-6-8-20(9-7-19)26-12-10-25(11-13-26)15-21-14-22(27)23(17-28-21)29-16-18-4-2-1-3-5-18/h1-9,14,17H,10-13,15-16H2/p+1