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

Systemtic Name: 1-phenyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 1-phenyl-2-[2-(4-phenylthiazol-2-yl)pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-phenyl-2-[2-(4-phenyl-2-thiazolyl)-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-phenyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 1-phenyl-2-[2-(4-phenylthiazol-2-yl)pyridin-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=CSC(=N2)C3=CC=CC=[N+]3CC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

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

InChI

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