5-[[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-[(2-fluorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-(2-fluorobenzyl)piperazin-1-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C18H20FN4OS+ MolecularWeight: 359.441003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)CC4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)CC4=CC=CC=C4F

InChI

InChI=1S/C18H19FN4OS/c19-15-5-2-1-4-14(15)12-22-7-9-23(10-8-22)13-17-20-18(21-24-17)16-6-3-11-25-16/h1-6,11H,7-10,12-13H2/p+1