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

Systemtic Name: 1-(4-chlorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-chlorophenyl)-2-[2-(4-phenylthiazol-2-yl)pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-[2-(4-phenyl-2-thiazolyl)-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-chlorophenyl)-2-[2-(4-phenylthiazol-2-yl)pyridin-1-ium-1-yl]ethanone bromide Formula: C22H16BrClN2OS MolecularWeight: 471.79724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)C3=CC=CC=[N+]3CC(=O)C4=CC=C(C=C4)Cl.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)C3=CC=CC=[N+]3CC(=O)C4=CC=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C22H16ClN2OS.BrH/c23-18-11-9-17(10-12-18)21(26)14-25-13-5-4-8-20(25)22-24-19(15-27-22)16-6-2-1-3-7-16;/h1-13,15H,14H2;1H/q+1;/p-1