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

Systemtic Name: 5-[[4-(4-fluorophenyl)-1,4-diazepan-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(4-fluorophenyl)-1,4-diazepan-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole CAS Name: 5-[[4-(4-fluorophenyl)-1,4-diazepan-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-fluorophenyl)-1,4-diazepan-1-ium-1-yl]methyl]-3-propyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(4-fluorophenyl)-1,4-diazepan-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+]2CCCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C17H23FN4O/c1-2-4-16-19-17(23-20-16)13-21-9-3-10-22(12-11-21)15-7-5-14(18)6-8-15/h5-8H,2-4,9-13H2,1H3/p+1