2-[4,7-bis(chloranyl)quinolin-1-ium-1-yl]-1-(4-tert-butylphenyl)ethanone bromide

Systemtic Name: 2-[4,7-bis(chloranyl)quinolin-1-ium-1-yl]-1-(4-tert-butylphenyl)ethanone bromide Openeye Name: 1-(4-tert-butylphenyl)-2-(4,7-dichloroquinolin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-tert-butylphenyl)-2-(4,7-dichloro-1-quinolin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-tert-butylphenyl)-2-(4,7-dichloroquinolin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-tert-butylphenyl)-2-(4,7-dichloroquinolin-1-ium-1-yl)ethanone bromide Formula: C21H20BrCl2NO MolecularWeight: 453.1996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C[N+]2=C3C=C(C=CC3=C(C=C2)Cl)Cl.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[N+]2=C3C=C(C=CC3=C(C=C2)Cl)Cl.[Br-]

InChI

InChI=1S/C21H20Cl2NO.BrH/c1-21(2,3)15-6-4-14(5-7-15)20(25)13-24-11-10-18(23)17-9-8-16(22)12-19(17)24;/h4-12H,13H2,1-3H3;1H/q+1;/p-1