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

Systemtic Name: 3-[5-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]propylazanium Openeye Name: 3-[5-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]propylammonium CAS Name: 3-[5-[(3,4-dimethoxyphenyl)methylthio]-1,3,4-oxadiazol-2-yl]propylammonium IUPAC Name: 3-[5-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]propylazanium Traditional Name: 3-[5-(veratrylthio)-1,3,4-oxadiazol-2-yl]propylammonium Formula: C14H20N3O3S+ MolecularWeight: 310.3919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(O2)CCC[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(O2)CCC[NH3+])OC

InChI

InChI=1S/C14H19N3O3S/c1-18-11-6-5-10(8-12(11)19-2)9-21-14-17-16-13(20-14)4-3-7-15/h5-6,8H,3-4,7,9,15H2,1-2H3/p+1