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

Systemtic Name: 2-(4-naphthalen-1-ylpyrimidin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-[4-(1-naphthyl)pyrimidin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-[4-(1-naphthalenyl)-1-pyrimidin-1-iumyl]-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-(4-naphthalen-1-ylpyrimidin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-[4-(1-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(=C1)C=CC=C2C3=NC=[N+](C=C3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NC=[N+](C=C3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-].[Br-]

InChI

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