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

Systemtic Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)ethanoate perchlorate Openeye Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)acetate perchlorate CAS Name: 2-(2,6-diethyl-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-diethyl-4-phenylpyridin-1-ium-1-yl)acetate perchlorate Traditional Name: 2-(2,6-diethyl-4-phenyl-pyridin-1-ium-1-yl)acetic acid (2-sulfamoyl-1,3-benzothiazol-6-yl) ester perchlorate Formula: C24H24ClN3O8S2 MolecularWeight: 582.04566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=[N+]1CC(=O)OC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)CC)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=CC(=CC(=[N+]1CC(=O)OC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)CC)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C24H24N3O4S2.ClHO4/c1-3-18-12-17(16-8-6-5-7-9-16)13-19(4-2)27(18)15-23(28)31-20-10-11-21-22(14-20)32-24(26-21)33(25,29)30;2-1(3,4)5/h5-14H,3-4,15H2,1-2H3,(H2,25,29,30);(H,2,3,4,5)/q+1;/p-1