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

Systemtic Name: N-tert-butyl-2-[6-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxy-ethanamide Openeye Name: N-tert-butyl-2-[6-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-4-oxo-pyran-3-yl]oxy-acetamide CAS Name: N-tert-butyl-2-[[6-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-4-oxo-3-pyranyl]oxy]acetamide IUPAC Name: N-tert-butyl-2-[6-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide Traditional Name: N-tert-butyl-2-[6-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-4-keto-pyran-3-yl]oxy-acetamide Formula: C21H28N3O6+ MolecularWeight: 418.46352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6/c1-21(2,3)22-19(26)14-30-18-13-29-15(11-16(18)25)12-23-6-8-24(9-7-23)20(27)17-5-4-10-28-17/h4-5,10-11,13H,6-9,12,14H2,1-3H3,(H,22,26)/p+1