2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-[(E)-3-phenylprop-2-enoxy]pyran-4-one

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-[(E)-3-phenylprop-2-enoxy]pyran-4-one Openeye Name: 5-[(E)-cinnamyl]oxy-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-[(E)-3-phenylprop-2-enoxy]-4-pyranone IUPAC Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-[(E)-3-phenylprop-2-enoxy]pyran-4-one Traditional Name: 5-[(E)-cinnamyl]oxy-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Formula: C25H26FN2O3+ MolecularWeight: 421.483943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC=CC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C25H25FN2O3/c26-21-8-10-22(11-9-21)28-14-12-27(13-15-28)18-23-17-24(29)25(19-31-23)30-16-4-7-20-5-2-1-3-6-20/h1-11,17,19H,12-16,18H2/p+1/b7-4+