2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-5-(4-piperidin-1-iumyl)-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-piperidin-1-ium-4-yl-1,3,4-oxadiazole Traditional Name: 2-piperidin-1-ium-4-yl-5-(piperonylthio)-1,3,4-oxadiazole Formula: C15H18N3O3S+ MolecularWeight: 320.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=NN=C(O2)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH2+]CCC1C2=NN=C(O2)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C15H17N3O3S/c1-2-12-13(20-9-19-12)7-10(1)8-22-15-18-17-14(21-15)11-3-5-16-6-4-11/h1-2,7,11,16H,3-6,8-9H2/p+1