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

Systemtic Name: 3-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propylazanium Openeye Name: 3-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propylammonium CAS Name: 3-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]propylammonium IUPAC Name: 3-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propylazanium Traditional Name: 3-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]propylammonium Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SCCC[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SCCC[NH3+]

InChI

InChI=1S/C14H19N3O2S/c1-10-4-5-11(2)12(8-10)18-9-13-16-17-14(19-13)20-7-3-6-15/h4-5,8H,3,6-7,9,15H2,1-2H3/p+1