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

Systemtic Name: 2-[1-(dimethylamino)-4H-pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[1-(dimethylamino)-4H-pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[1-(dimethylamino)-4H-pyridin-1-ium-1-yl]-1-phenylethanone bromide IUPAC Name: 2-[1-(dimethylamino)-4H-pyridin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[1-(dimethylamino)-4H-pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C15H19BrN2O MolecularWeight: 323.22816

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)[N+]1(C=CCC=C1)CC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CN(C)[N+]1(C=CCC=C1)CC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C15H19N2O.BrH/c1-16(2)17(11-7-4-8-12-17)13-15(18)14-9-5-3-6-10-14;/h3,5-12H,4,13H2,1-2H3;1H/q+1;/p-1