3-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propylazanium

Systemtic Name: 3-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propylazanium Openeye Name: 3-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propylammonium CAS Name: 3-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]propylammonium IUPAC Name: 3-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propylazanium Traditional Name: 3-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]propylammonium Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCCC[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCCC[NH3+])OC

InChI

InChI=1S/C13H17N3O3S/c1-17-10-5-4-9(8-11(10)18-2)12-15-16-13(19-12)20-7-3-6-14/h4-5,8H,3,6-7,14H2,1-2H3/p+1