1-(4-tert-butylphenyl)-2-(2-chloranylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-tert-butylphenyl)-2-(2-chloranylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-tert-butylphenyl)-2-(2-chloropyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-tert-butylphenyl)-2-(2-chloro-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-tert-butylphenyl)-2-(2-chloropyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-tert-butylphenyl)-2-(2-chloropyridin-1-ium-1-yl)ethanone bromide Formula: C17H19BrClNO MolecularWeight: 368.69586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2Cl.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2Cl.[Br-]

InChI

InChI=1S/C17H19ClNO.BrH/c1-17(2,3)14-9-7-13(8-10-14)15(20)12-19-11-5-4-6-16(19)18;/h4-11H,12H2,1-3H3;1H/q+1;/p-1