(4-sulfamoylphenyl)methyl 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoate perchlorate

Systemtic Name: (4-sulfamoylphenyl)methyl 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoate perchlorate Openeye Name: (4-sulfamoylphenyl)methyl 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)acetate perchlorate CAS Name: 2-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)acetic acid (4-sulfamoylphenyl)methyl ester perchlorate IUPAC Name: (4-sulfamoylphenyl)methyl 2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetate perchlorate Traditional Name: 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)acetic acid (4-sulfamoylbenzyl) ester perchlorate Formula: C22H23ClN2O8S MolecularWeight: 510.94462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CC(=O)OCC2=CC=C(C=C2)S(=O)(=O)N)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1CC(=O)OCC2=CC=C(C=C2)S(=O)(=O)N)C)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H23N2O4S.ClHO4/c1-16-12-20(19-6-4-3-5-7-19)13-17(2)24(16)14-22(25)28-15-18-8-10-21(11-9-18)29(23,26)27;2-1(3,4)5/h3-13H,14-15H2,1-2H3,(H2,23,26,27);(H,2,3,4,5)/q+1;/p-1