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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2H-oxadiazol-3-ium-5-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2H-oxadiazol-3-ium-5-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2H-oxadiazol-3-ium-5-one Traditional Name: 3-homoveratryl-2H-oxadiazol-3-ium-5-one Formula: C12H15N2O4+ MolecularWeight: 251.2585

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2=CC(=O)ON2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2=CC(=O)ON2)OC

InChI

InChI=1S/C12H14N2O4/c1-16-10-4-3-9(7-11(10)17-2)5-6-14-8-12(15)18-13-14/h3-4,7-8H,5-6H2,1-2H3/p+1