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

Systemtic Name: N-tert-butyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-pyran-3-yl]oxy-ethanamide Openeye Name: N-tert-butyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxo-pyran-3-yl]oxy-acetamide CAS Name: N-tert-butyl-2-[[6-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-pyranyl]oxy]acetamide IUPAC Name: N-tert-butyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide Traditional Name: N-tert-butyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-keto-pyran-3-yl]oxy-acetamide Formula: C22H29FN3O4+ MolecularWeight: 418.481763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O4/c1-22(2,3)24-21(28)15-30-20-14-29-16(12-19(20)27)13-25-8-10-26(11-9-25)18-7-5-4-6-17(18)23/h4-7,12,14H,8-11,13,15H2,1-3H3,(H,24,28)/p+1