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

Systemtic Name: 3-[(3-fluorophenyl)methyl]-5-[(4-pyridin-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-[(3-fluorophenyl)methyl]-5-[[4-(4-pyridyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-[(3-fluorophenyl)methyl]-5-[(4-pyridin-4-yl-1-piperazin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-[(3-fluorophenyl)methyl]-5-[(4-pyridin-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(3-fluorobenzyl)-5-[[4-(4-pyridyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C19H21FN5O+ MolecularWeight: 354.401343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)CC3=CC(=CC=C3)F)C4=CC=NC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)CC3=CC(=CC=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C19H20FN5O/c20-16-3-1-2-15(12-16)13-18-22-19(26-23-18)14-24-8-10-25(11-9-24)17-4-6-21-7-5-17/h1-7,12H,8-11,13-14H2/p+1