2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone bromide

Systemtic Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone bromide Openeye Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone bromide CAS Name: 2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone bromide IUPAC Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone bromide Traditional Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(4-methylfurazan-3-yl)ethanone bromide Formula: C12H14BrN3O2 MolecularWeight: 312.16246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)C2=NON=C2C)C.[Br-]

Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)C2=NON=C2C)C.[Br-]

InChI

InChI=1S/C12H14N3O2.BrH/c1-8-5-4-6-15(10(8)3)7-11(16)12-9(2)13-17-14-12;/h4-6H,7H2,1-3H3;1H/q+1;/p-1