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

Systemtic Name: 4-[2-(2-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate Openeye Name: 4-[2-(2-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate CAS Name: 4-[2-(2-butyl-4,6-diphenyl-1-pyridin-1-iumyl)ethyl]benzenesulfonamide perchlorate IUPAC Name: 4-[2-(2-butyl-4,6-diphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate Traditional Name: 4-[2-(2-butyl-4,6-diphenyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate Formula: C29H31ClN2O6S MolecularWeight: 571.08424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C29H31N2O2S.ClHO4/c1-2-3-14-27-21-26(24-10-6-4-7-11-24)22-29(25-12-8-5-9-13-25)31(27)20-19-23-15-17-28(18-16-23)34(30,32)33;2-1(3,4)5/h4-13,15-18,21-22H,2-3,14,19-20H2,1H3,(H2,30,32,33);(H,2,3,4,5)/q+1;/p-1