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

Systemtic Name: 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C19H20FN4O+ MolecularWeight: 339.386703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H19FN4O/c20-16-6-8-17(9-7-16)24-12-10-23(11-13-24)14-18-21-19(22-25-18)15-4-2-1-3-5-15/h1-9H,10-14H2/p+1