2-(3-azanylpyridin-1-ium-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone bromide

Systemtic Name: 2-(3-azanylpyridin-1-ium-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone bromide Openeye Name: 2-(3-aminopyridin-1-ium-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone bromide CAS Name: 2-(3-amino-1-pyridin-1-iumyl)-1-(3,5-dimethyl-1-pyrazolyl)ethanone bromide IUPAC Name: 2-(3-aminopyridin-1-ium-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone bromide Traditional Name: 2-(3-aminopyridin-1-ium-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone bromide Formula: C12H15BrN4O MolecularWeight: 311.1777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C[N+]2=CC=CC(=C2)N)C.[Br-]

Isomeric SMILES

CC1=CC(=NN1C(=O)C[N+]2=CC=CC(=C2)N)C.[Br-]

InChI

InChI=1S/C12H15N4O.BrH/c1-9-6-10(2)16(14-9)12(17)8-15-5-3-4-11(13)7-15;/h3-7H,8,13H2,1-2H3;1H/q+1;/p-1