(2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoate perchlorate

Systemtic Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoate perchlorate Openeye Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 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 (2-sulfamoyl-1,3-benzothiazol-6-yl) ester perchlorate IUPAC Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 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 (2-sulfamoyl-1,3-benzothiazol-6-yl) ester perchlorate Formula: C22H20ClN3O8S2 MolecularWeight: 553.9925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CC(=O)OC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)C)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC(=[N+]1CC(=O)OC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)C)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H20N3O4S2.ClHO4/c1-14-10-17(16-6-4-3-5-7-16)11-15(2)25(14)13-21(26)29-18-8-9-19-20(12-18)30-22(24-19)31(23,27)28;2-1(3,4)5/h3-12H,13H2,1-2H3,(H2,23,27,28);(H,2,3,4,5)/q+1;/p-1