2-[6-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxy-N-propyl-ethanamide

Systemtic Name: 2-[6-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxy-N-propyl-ethanamide Openeye Name: 2-[6-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-pyran-3-yl]oxy-N-propyl-acetamide CAS Name: 2-[[6-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-pyranyl]oxy]-N-propylacetamide IUPAC Name: 2-[6-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-propylacetamide Traditional Name: 2-[6-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-keto-pyran-3-yl]oxy-N-propyl-acetamide Formula: C21H27FN3O4+ MolecularWeight: 404.455183

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC1=COC(=CC1=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCNC(=O)COC1=COC(=CC1=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O4/c1-2-7-23-21(27)15-29-20-14-28-18(12-19(20)26)13-24-8-10-25(11-9-24)17-5-3-16(22)4-6-17/h3-6,12,14H,2,7-11,13,15H2,1H3,(H,23,27)/p+1