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

Systemtic Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methoxy-3-nitro-phenyl)ethanone Openeye Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methoxy-3-nitro-phenyl)ethanone CAS Name: 2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(4-methoxy-3-nitrophenyl)ethanone IUPAC Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methoxy-3-nitrophenyl)ethanone Traditional Name: 2-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-methoxy-3-nitro-phenyl)ethanone Formula: C16H17N2O4+ MolecularWeight: 301.31718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N2O4/c1-11-6-12(2)9-17(8-11)10-15(19)13-4-5-16(22-3)14(7-13)18(20)21/h4-9H,10H2,1-3H3/q+1