1-(4-tert-butylphenyl)-2-(6-chloranylquinolin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-tert-butylphenyl)-2-(6-chloranylquinolin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-tert-butylphenyl)-2-(6-chloroquinolin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-tert-butylphenyl)-2-(6-chloro-1-quinolin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-tert-butylphenyl)-2-(6-chloroquinolin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-tert-butylphenyl)-2-(6-chloroquinolin-1-ium-1-yl)ethanone bromide Formula: C21H21BrClNO MolecularWeight: 418.75454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=C2C=CC(=C3)Cl.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=C2C=CC(=C3)Cl.[Br-]

InChI

InChI=1S/C21H21ClNO.BrH/c1-21(2,3)17-8-6-15(7-9-17)20(24)14-23-12-4-5-16-13-18(22)10-11-19(16)23;/h4-13H,14H2,1-3H3;1H/q+1;/p-1