5-(1,3-dioxolan-2-ylmethoxy)-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one

Systemtic Name: 5-(1,3-dioxolan-2-ylmethoxy)-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Openeye Name: 5-(1,3-dioxolan-2-ylmethoxy)-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one CAS Name: 5-(1,3-dioxolan-2-ylmethoxy)-2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-pyranone IUPAC Name: 5-(1,3-dioxolan-2-ylmethoxy)-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Traditional Name: 5-(1,3-dioxolan-2-ylmethoxy)-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Formula: C20H24FN2O5+ MolecularWeight: 391.413363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC3OCCO3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC3OCCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H23FN2O5/c21-15-1-3-16(4-2-15)23-7-5-22(6-8-23)12-17-11-18(24)19(13-27-17)28-14-20-25-9-10-26-20/h1-4,11,13,20H,5-10,12,14H2/p+1