3-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]propylazanium

Systemtic Name: 3-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]propylazanium Openeye Name: 3-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]propylammonium CAS Name: 3-[5-(1,3-benzodioxol-5-ylmethylthio)-1,3,4-oxadiazol-2-yl]propylammonium IUPAC Name: 3-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]propylazanium Traditional Name: 3-[5-(piperonylthio)-1,3,4-oxadiazol-2-yl]propylammonium Formula: C13H16N3O3S+ MolecularWeight: 294.34944

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(O3)CCC[NH3+]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(O3)CCC[NH3+]

InChI

InChI=1S/C13H15N3O3S/c14-5-1-2-12-15-16-13(19-12)20-7-9-3-4-10-11(6-9)18-8-17-10/h3-4,6H,1-2,5,7-8,14H2/p+1