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

Systemtic Name: 2-[6-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxy-N-propan-2-yl-ethanamide Openeye Name: 2-[6-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-4-oxo-pyran-3-yl]oxy-N-isopropyl-acetamide CAS Name: 2-[[6-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-4-oxo-3-pyranyl]oxy]-N-propan-2-ylacetamide IUPAC Name: 2-[6-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-propan-2-ylacetamide Traditional Name: 2-[6-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-4-keto-pyran-3-yl]oxy-N-isopropyl-acetamide Formula: C20H26N3O6+ MolecularWeight: 404.43694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC1=COC(=CC1=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC(C)NC(=O)COC1=COC(=CC1=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H25N3O6/c1-14(2)21-19(25)13-29-18-12-28-15(10-16(18)24)11-22-5-7-23(8-6-22)20(26)17-4-3-9-27-17/h3-4,9-10,12,14H,5-8,11,13H2,1-2H3,(H,21,25)/p+1