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

Systemtic Name: 4-[2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate Openeye Name: 4-[2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate CAS Name: 4-[2-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)ethyl]benzenesulfonamide perchlorate IUPAC Name: 4-[2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate Traditional Name: 4-[2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CCC2=CC=C(C=C2)S(=O)(=O)N)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1CCC2=CC=C(C=C2)S(=O)(=O)N)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H23N2O2S.ClHO4/c1-16-14-20(19-6-4-3-5-7-19)15-17(2)23(16)13-12-18-8-10-21(11-9-18)26(22,24)25;2-1(3,4)5/h3-11,14-15H,12-13H2,1-2H3,(H2,22,24,25);(H,2,3,4,5)/q+1;/p-1