2-[(2-fluorophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole CAS Name: 2-[(2-fluorophenyl)methylthio]-5-[(2S)-2-pyrrolidin-1-iumyl]-1,3,4-oxadiazole IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Traditional Name: 2-[(2-fluorobenzyl)thio]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Formula: C13H15FN3OS+ MolecularWeight: 280.341103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=NN=C(O2)SCC3=CC=CC=C3F

Isomeric SMILES

C1C[C@H]([NH2+]C1)C2=NN=C(O2)SCC3=CC=CC=C3F

InChI

InChI=1S/C13H14FN3OS/c14-10-5-2-1-4-9(10)8-19-13-17-16-12(18-13)11-6-3-7-15-11/h1-2,4-5,11,15H,3,6-8H2/p+1/t11-/m0/s1