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

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methyl-3-nitro-phenyl)ethanone bromide Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methyl-3-nitro-phenyl)ethanone bromide CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(4-methyl-3-nitrophenyl)ethanone bromide IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methyl-3-nitrophenyl)ethanone bromide Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methyl-3-nitro-phenyl)ethanone bromide Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C[N+]2=CC(=CC(=C2)C)C)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C[N+]2=CC(=CC(=C2)C)C)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C16H17N2O3.BrH/c1-11-6-12(2)9-17(8-11)10-16(19)14-5-4-13(3)15(7-14)18(20)21;/h4-9H,10H2,1-3H3;1H/q+1;/p-1