2-(4-naphthalen-2-ylpyrimidin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide

Systemtic Name: 2-(4-naphthalen-2-ylpyrimidin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-[4-(2-naphthyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-[4-(2-naphthalenyl)-1-pyrimidin-1-iumyl]-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-(4-naphthalen-2-ylpyrimidin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-[4-(2-naphthyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Formula: C22H16BrN3O3 MolecularWeight: 450.28474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=NC=[N+](C=C3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NC=[N+](C=C3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C22H16N3O3.BrH/c26-22(19-6-3-7-20(13-19)25(27)28)14-24-11-10-21(23-15-24)18-9-8-16-4-1-2-5-17(16)12-18;/h1-13,15H,14H2;1H/q+1;/p-1