1-(4-methylphenyl)-2-[3-(4-methylphenyl)sulfonylcyclohexyl]-4,6-diphenyl-pyridin-1-ium perchlorate

Systemtic Name: 1-(4-methylphenyl)-2-[3-(4-methylphenyl)sulfonylcyclohexyl]-4,6-diphenyl-pyridin-1-ium perchlorate Openeye Name: 2,4-diphenyl-1-(p-tolyl)-6-[3-(p-tolylsulfonyl)cyclohexyl]pyridin-1-ium perchlorate CAS Name: 1-(4-methylphenyl)-2-[3-(4-methylphenyl)sulfonylcyclohexyl]-4,6-diphenylpyridin-1-ium perchlorate IUPAC Name: 1-(4-methylphenyl)-2-[3-(4-methylphenyl)sulfonylcyclohexyl]-4,6-diphenylpyridin-1-ium perchlorate Traditional Name: 2,4-diphenyl-1-(p-tolyl)-6-(3-tosylcyclohexyl)pyridin-1-ium perchlorate Formula: C37H36ClNO6S MolecularWeight: 658.20284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3CCCC(C3)S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3CCCC(C3)S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C37H36NO2S.ClHO4/c1-27-16-20-33(21-17-27)38-36(30-12-7-4-8-13-30)25-32(29-10-5-3-6-11-29)26-37(38)31-14-9-15-35(24-31)41(39,40)34-22-18-28(2)19-23-34;2-1(3,4)5/h3-8,10-13,16-23,25-26,31,35H,9,14-15,24H2,1-2H3;(H,2,3,4,5)/q+1;/p-1