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

Systemtic Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C20H22FN4O3S+ MolecularWeight: 417.477083

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C20H21FN4O3S/c21-17-7-9-18(10-8-17)29(26,27)25-12-4-11-24(13-14-25)15-19-22-20(23-28-19)16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2/p+1