4-[2-(2,4-diphenyl-6-propyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate

Systemtic Name: 4-[2-(2,4-diphenyl-6-propyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate Openeye Name: 4-[2-(2,4-diphenyl-6-propyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate CAS Name: 4-[2-(2,4-diphenyl-6-propyl-1-pyridin-1-iumyl)ethyl]benzenesulfonamide perchlorate IUPAC Name: 4-[2-(2,4-diphenyl-6-propylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate Traditional Name: 4-[2-(2,4-diphenyl-6-propyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate Formula: C28H29ClN2O6S MolecularWeight: 557.05766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=[N+]1CCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCC1=CC(=CC(=[N+]1CCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C28H29N2O2S.ClHO4/c1-2-9-26-20-25(23-10-5-3-6-11-23)21-28(24-12-7-4-8-13-24)30(26)19-18-22-14-16-27(17-15-22)33(29,31)32;2-1(3,4)5/h3-8,10-17,20-21H,2,9,18-19H2,1H3,(H2,29,31,32);(H,2,3,4,5)/q+1;/p-1