2-(3-ethyl-4-methyl-pyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide

Systemtic Name: 2-(3-ethyl-4-methyl-pyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(3-ethyl-4-methyl-pyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(3-ethyl-4-methyl-1-pyridin-1-iumyl)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(3-ethyl-4-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(3-ethyl-4-methyl-pyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C[N+](=C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C.[Br-]

Isomeric SMILES

CCC1=C(C=C[N+](=C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C.[Br-]

InChI

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