3-[5-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-1,3,4-oxadiazol-2-yl]propylazanium

Systemtic Name: 3-[5-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-1,3,4-oxadiazol-2-yl]propylazanium Openeye Name: 3-[5-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]-1,3,4-oxadiazol-2-yl]propylammonium CAS Name: 3-[5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propylammonium IUPAC Name: 3-[5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propylazanium Traditional Name: 3-(5-homovanillyl-1,3,4-oxadiazol-2-yl)propylammonium Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC2=NN=C(O2)CCC[NH3+])O

Isomeric SMILES

COC1=C(C=CC(=C1)CCC2=NN=C(O2)CCC[NH3+])O

InChI

InChI=1S/C14H19N3O3/c1-19-12-9-10(4-6-11(12)18)5-7-14-17-16-13(20-14)3-2-8-15/h4,6,9,18H,2-3,5,7-8,15H2,1H3/p+1