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

Systemtic Name: 2-(4-naphthalen-2-ylpyrimidin-1-ium-1-yl)-1-phenyl-ethanone bromide Openeye Name: 2-[4-(2-naphthyl)pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[4-(2-naphthalenyl)-1-pyrimidin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-(4-naphthalen-2-ylpyrimidin-1-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-[4-(2-naphthyl)pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C22H17BrN2O MolecularWeight: 405.28718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC4=CC=CC=C4C=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC4=CC=CC=C4C=C3.[Br-]

InChI

InChI=1S/C22H17N2O.BrH/c25-22(18-7-2-1-3-8-18)15-24-13-12-21(23-16-24)20-11-10-17-6-4-5-9-19(17)14-20;/h1-14,16H,15H2;1H/q+1;/p-1