1-phenyl-2-[6-[2-(4-propan-2-ylphenyl)sulfonylethyl]-1,2-dihydropyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-phenyl-2-[6-[2-(4-propan-2-ylphenyl)sulfonylethyl]-1,2-dihydropyridin-1-ium-1-yl]ethanone bromide Openeye Name: 2-[6-[2-(4-isopropylphenyl)sulfonylethyl]-1,2-dihydropyridin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 1-phenyl-2-[6-[2-(4-propan-2-ylphenyl)sulfonylethyl]-1,2-dihydropyridin-1-ium-1-yl]ethanone bromide IUPAC Name: 1-phenyl-2-[6-[2-(4-propan-2-ylphenyl)sulfonylethyl]-1,2-dihydropyridin-1-ium-1-yl]ethanone bromide Traditional Name: 2-[6-(2-p-cumenylsulfonylethyl)-1,2-dihydropyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C24H28BrNO3S MolecularWeight: 490.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)CCC2=CC=CC[NH+]2CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)CCC2=CC=CC[NH+]2CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C24H27NO3S.BrH/c1-19(2)20-11-13-23(14-12-20)29(27,28)17-15-22-10-6-7-16-25(22)18-24(26)21-8-4-3-5-9-21;/h3-14,19H,15-18H2,1-2H3;1H