1-(4-phenylphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-phenylphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-phenylphenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-phenylphenyl)-2-(4-thiophen-2-yl-1-pyrimidin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-phenylphenyl)-2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-phenylphenyl)-2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]ethanone bromide Formula: C22H17BrN2OS MolecularWeight: 437.35218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CN=C(C=C3)C4=CC=CS4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CN=C(C=C3)C4=CC=CS4.[Br-]

InChI

InChI=1S/C22H17N2OS.BrH/c25-21(15-24-13-12-20(23-16-24)22-7-4-14-26-22)19-10-8-18(9-11-19)17-5-2-1-3-6-17;/h1-14,16H,15H2;1H/q+1;/p-1