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

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C16H17N2O3+ MolecularWeight: 285.31778

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C16H17N2O3/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/q+1