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

Systemtic Name: 2-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[2-[4-(4-bromophenyl)thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[2-[4-(4-bromophenyl)-2-thiazolyl]-1-pyridin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[2-[4-(4-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=C(C=C4)Br.[Br-]

Isomeric SMILES

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

InChI

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