2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Formula: C21H21BrN2O MolecularWeight: 397.30824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N2O.BrH/c1-22(2)20-12-14-23(15-13-20)16-21(24)19-10-8-18(9-11-19)17-6-4-3-5-7-17;/h3-15H,16H2,1-2H3;1H/q+1;/p-1