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

Systemtic Name: 1-phenyl-2-[6-[2-(4-propan-2-ylphenyl)sulfonylethyl]-1,2-dihydropyridin-1-ium-1-yl]ethanone Openeye Name: 2-[6-[2-(4-isopropylphenyl)sulfonylethyl]-1,2-dihydropyridin-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 1-phenyl-2-[6-[2-(4-propan-2-ylphenyl)sulfonylethyl]-1,2-dihydropyridin-1-ium-1-yl]ethanone IUPAC Name: 1-phenyl-2-[6-[2-(4-propan-2-ylphenyl)sulfonylethyl]-1,2-dihydropyridin-1-ium-1-yl]ethanone Traditional Name: 2-[6-(2-p-cumenylsulfonylethyl)-1,2-dihydropyridin-1-ium-1-yl]-1-phenyl-ethanone Formula: C24H28NO3S+ MolecularWeight: 410.54902

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO3S/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/p+1