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

Systemtic Name: 2-ethyl-5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3,4-oxadiazole Openeye Name: 2-ethyl-5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3,4-oxadiazole CAS Name: 2-ethyl-5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3,4-oxadiazole IUPAC Name: 2-ethyl-5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3,4-oxadiazole Traditional Name: 2-ethyl-5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,3,4-oxadiazole Formula: C16H22FN4O3S+ MolecularWeight: 369.434283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(O1)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=NN=C(O1)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H21FN4O3S/c1-2-15-18-19-16(24-15)12-20-8-3-9-21(11-10-20)25(22,23)14-6-4-13(17)5-7-14/h4-7H,2-3,8-12H2,1H3/p+1