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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-oxadiazol-3-ium-5-amine Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]oxadiazol-3-ium-5-amine CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxadiazol-3-iumamine IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]oxadiazol-3-ium-5-amine Traditional Name: (3-homoveratryloxadiazol-3-ium-5-yl)amine Formula: C12H16N3O3+ MolecularWeight: 250.27374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N3O3/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/q+1