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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=[N+]1CC2=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+]1CC2=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/c1-2-3-14-26-19-25(23-10-6-4-7-11-23)20-28(24-12-8-5-9-13-24)30(26)21-22-15-17-27(18-16-22)33(29,31)32;2-1(3,4)5/h4-13,15-20H,2-3,14,21H2,1H3,(H2,29,31,32);(H,2,3,4,5)/q+1;/p-1