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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC1=COC(=CC1=O)C[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)NC(=O)COC1=COC(=CC1=O)C[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

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