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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-5-[(2S)-2-pyrrolidin-1-iumyl]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Traditional Name: 2-(piperonylthio)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Formula: C14H16N3O3S+ MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=NN=C(O2)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@H]([NH2+]C1)C2=NN=C(O2)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C14H15N3O3S/c1-2-10(15-5-1)13-16-17-14(20-13)21-7-9-3-4-11-12(6-9)19-8-18-11/h3-4,6,10,15H,1-2,5,7-8H2/p+1/t10-/m0/s1