1-(4-bromophenyl)-2-[2,5-dimethyl-4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[2,5-dimethyl-4-(phenylmethyl)pyridin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzyl-2,5-dimethyl-pyridin-1-ium-1-yl)-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[2,5-dimethyl-4-(phenylmethyl)-1-pyridin-1-iumyl]ethanone IUPAC Name: 2-(4-benzyl-2,5-dimethylpyridin-1-ium-1-yl)-1-(4-bromophenyl)ethanone Traditional Name: 2-(4-benzyl-2,5-dimethyl-pyridin-1-ium-1-yl)-1-(4-bromophenyl)ethanone Formula: C22H21BrNO+ MolecularWeight: 395.31224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=C1)CC2=CC=CC=C2)C)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=[N+](C=C(C(=C1)CC2=CC=CC=C2)C)CC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H21BrNO/c1-16-14-24(15-22(25)19-8-10-21(23)11-9-19)17(2)12-20(16)13-18-6-4-3-5-7-18/h3-12,14H,13,15H2,1-2H3/q+1