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

Systemtic Name: 2-(phenylmethylsulfanyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole chloride Openeye Name: 2-benzylsulfanyl-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole chloride CAS Name: 2-(phenylmethylthio)-5-[(2S)-2-pyrrolidin-1-iumyl]-1,3,4-oxadiazole chloride IUPAC Name: 2-benzylsulfanyl-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole chloride Traditional Name: 2-(benzylthio)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole chloride Formula: C13H16ClN3OS MolecularWeight: 297.80364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=NN=C(O2)SCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1C[C@H]([NH2+]C1)C2=NN=C(O2)SCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C13H15N3OS.ClH/c1-2-5-10(6-3-1)9-18-13-16-15-12(17-13)11-7-4-8-14-11;/h1-3,5-6,11,14H,4,7-9H2;1H/t11-;/m0./s1