2-[2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[2-[4-(3-bromophenyl)thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[2-[4-(3-bromophenyl)-2-thiazolyl]-1-pyridin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[2-[4-(3-bromophenyl)thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C22H16Br2N2OS MolecularWeight: 516.24824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2C3=NC(=CS3)C4=CC(=CC=C4)Br.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2C3=NC(=CS3)C4=CC(=CC=C4)Br.[Br-]

InChI

InChI=1S/C22H16BrN2OS.BrH/c23-18-10-6-9-17(13-18)19-15-27-22(24-19)20-11-4-5-12-25(20)14-21(26)16-7-2-1-3-8-16;/h1-13,15H,14H2;1H/q+1;/p-1