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

Systemtic Name: 3-cyclopropyl-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-cyclopropyl-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-cyclopropyl-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-cyclopropyl-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-cyclopropyl-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C17H22FN4O+ MolecularWeight: 317.381183

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=CC=C(C=C2)F)CC3=NC(=NO3)C4CC4

Isomeric SMILES

C1C[NH+](CCN(C1)C2=CC=C(C=C2)F)CC3=NC(=NO3)C4CC4

InChI

InChI=1S/C17H21FN4O/c18-14-4-6-15(7-5-14)22-9-1-8-21(10-11-22)12-16-19-17(20-23-16)13-2-3-13/h4-7,13H,1-3,8-12H2/p+1