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

Systemtic Name: 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Openeye Name: 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole CAS Name: 5-[[4-[(3-fluorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-3-propyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(3-fluorobenzyl)piperazin-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Formula: C17H24FN4O+ MolecularWeight: 319.397063

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=N1)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCCC1=NOC(=N1)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C17H23FN4O/c1-2-4-16-19-17(23-20-16)13-22-9-7-21(8-10-22)12-14-5-3-6-15(18)11-14/h3,5-6,11H,2,4,7-10,12-13H2,1H3/p+1