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

Systemtic Name: 4-[(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide perchlorate Openeye Name: 4-[(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide perchlorate CAS Name: 4-[(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)methyl]benzenesulfonamide perchlorate IUPAC Name: 4-[(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide perchlorate Traditional Name: 4-[(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide perchlorate Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CC2=CC=C(C=C2)S(=O)(=O)N)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1CC2=CC=C(C=C2)S(=O)(=O)N)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H21N2O2S.ClHO4/c1-15-12-19(18-6-4-3-5-7-18)13-16(2)22(15)14-17-8-10-20(11-9-17)25(21,23)24;2-1(3,4)5/h3-13H,14H2,1-2H3,(H2,21,23,24);(H,2,3,4,5)/q+1;/p-1