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

Systemtic Name: (4-sulfamoylphenyl)methyl 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoate Openeye Name: (4-sulfamoylphenyl)methyl 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)acetate CAS Name: 2-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)acetic acid (4-sulfamoylphenyl)methyl ester IUPAC Name: (4-sulfamoylphenyl)methyl 2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)acetic acid (4-sulfamoylbenzyl) ester Formula: C22H23N2O4S+ MolecularWeight: 411.49402

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N2O4S/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/h3-13H,14-15H2,1-2H3,(H2,23,26,27)/q+1