N-phenoxathiin-2-yl-3-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate

Systemtic Name: N-phenoxathiin-2-yl-3-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate Openeye Name: N-phenoxathiin-2-yl-3-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate CAS Name: N-(2-phenoxathiinyl)-3-(2,4,6-trimethyl-1-pyridin-1-iumyl)benzenesulfonamide perchlorate IUPAC Name: N-phenoxathiin-2-yl-3-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate Traditional Name: N-phenoxathiin-2-yl-3-(2,4,6-trimethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate Formula: C26H23ClN2O7S2 MolecularWeight: 575.05302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)C2=CC(=CC=C2)S(=O)(=O)NC3=CC4=C(C=C3)OC5=CC=CC=C5S4)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)C2=CC(=CC=C2)S(=O)(=O)NC3=CC4=C(C=C3)OC5=CC=CC=C5S4)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C26H23N2O3S2.ClHO4/c1-17-13-18(2)28(19(3)14-17)21-7-6-8-22(16-21)33(29,30)27-20-11-12-24-26(15-20)32-25-10-5-4-9-23(25)31-24;2-1(3,4)5/h4-16,27H,1-3H3;(H,2,3,4,5)/q+1;/p-1