3-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-oxadiazol-3-ium-5-amine chloride

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-oxadiazol-3-ium-5-amine chloride Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]oxadiazol-3-ium-5-amine chloride CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxadiazol-3-iumamine chloride IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]oxadiazol-3-ium-5-amine chloride Traditional Name: (3-homoveratryloxadiazol-3-ium-5-yl)amine chloride Formula: C12H16ClN3O3 MolecularWeight: 285.72674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2=NOC(=C2)N)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2=NOC(=C2)N)OC.[Cl-]

InChI

InChI=1S/C12H16N3O3.ClH/c1-16-10-4-3-9(7-11(10)17-2)5-6-15-8-12(13)18-14-15;/h3-4,7-8H,5-6,13H2,1-2H3;1H/q+1;/p-1