1-(4-tert-butylphenyl)-2-[4-[(4-chlorophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-tert-butylphenyl)-2-[4-[(4-chlorophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-tert-butylphenyl)-2-[4-[(4-chlorophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-tert-butylphenyl)-2-[4-[(4-chlorophenyl)methyl]-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-tert-butylphenyl)-2-[4-[(4-chlorophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-tert-butylphenyl)-2-[4-(4-chlorobenzyl)pyridin-1-ium-1-yl]ethanone bromide Formula: C24H25BrClNO MolecularWeight: 458.8184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C24H25ClNO.BrH/c1-24(2,3)21-8-6-20(7-9-21)23(27)17-26-14-12-19(13-15-26)16-18-4-10-22(25)11-5-18;/h4-15H,16-17H2,1-3H3;1H/q+1;/p-1