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

Systemtic Name: 2-[2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[2-[2-[(3,4-dichlorophenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[2-[2-[(3,4-dichlorophenyl)thio]ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C21H18BrCl2NOS MolecularWeight: 483.24872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2CCSC3=CC(=C(C=C3)Cl)Cl.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2CCSC3=CC(=C(C=C3)Cl)Cl.[Br-]

InChI

InChI=1S/C21H18Cl2NOS.BrH/c22-19-10-9-18(14-20(19)23)26-13-11-17-8-4-5-12-24(17)15-21(25)16-6-2-1-3-7-16;/h1-10,12,14H,11,13,15H2;1H/q+1;/p-1