2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Formula: C17H19BrN2O3 MolecularWeight: 379.24836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N2O3.BrH/c1-17(2,3)14-7-9-18(10-8-14)12-16(20)13-5-4-6-15(11-13)19(21)22;/h4-11H,12H2,1-3H3;1H/q+1;/p-1