2-[[5-(1,3-benzodioxol-5-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylazanium

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylazanium Openeye Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylammonium CAS Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-1,3,4-oxadiazol-2-yl]thio]ethylammonium IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethylazanium Traditional Name: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-1,3,4-oxadiazol-2-yl]thio]ethylammonium Formula: C12H14N3O4S+ MolecularWeight: 296.32226

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(O3)SCC[NH3+]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(O3)SCC[NH3+]

InChI

InChI=1S/C12H13N3O4S/c13-3-4-20-12-15-14-11(19-12)6-16-8-1-2-9-10(5-8)18-7-17-9/h1-2,5H,3-4,6-7,13H2/p+1