1-phenyl-2-[2-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-phenyl-2-[2-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 2-[2-[2-(4-isopropylphenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 1-phenyl-2-[2-[2-[(4-propan-2-ylphenyl)thio]ethyl]-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-phenyl-2-[2-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 2-[2-[2-(p-cumenylthio)ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C24H26BrNOS MolecularWeight: 456.43834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCCC2=CC=CC=[N+]2CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SCCC2=CC=CC=[N+]2CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C24H26NOS.BrH/c1-19(2)20-11-13-23(14-12-20)27-17-15-22-10-6-7-16-25(22)18-24(26)21-8-4-3-5-9-21;/h3-14,16,19H,15,17-18H2,1-2H3;1H/q+1;/p-1