2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Formula: C15H16BrN3O3 MolecularWeight: 366.20984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N3O3.BrH/c1-16(2)13-6-8-17(9-7-13)11-15(19)12-4-3-5-14(10-12)18(20)21;/h3-10H,11H2,1-2H3;1H/q+1;/p-1