N-(2-sulfamoyl-1,3-benzothiazol-6-yl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanamide perchlorate

Systemtic Name: N-(2-sulfamoyl-1,3-benzothiazol-6-yl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanamide perchlorate Openeye Name: N-(2-sulfamoyl-1,3-benzothiazol-6-yl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate CAS Name: N-(2-sulfamoyl-1,3-benzothiazol-6-yl)-2-(2,4,6-trimethyl-1-pyridin-1-iumyl)acetamide perchlorate IUPAC Name: N-(2-sulfamoyl-1,3-benzothiazol-6-yl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate Traditional Name: N-(2-sulfamoyl-1,3-benzothiazol-6-yl)-2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetamide perchlorate Formula: C17H19ClN4O7S2 MolecularWeight: 490.93836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)CC(=O)NC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)CC(=O)NC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H18N4O3S2.ClHO4/c1-10-6-11(2)21(12(3)7-10)9-16(22)19-13-4-5-14-15(8-13)25-17(20-14)26(18,23)24;2-1(3,4)5/h4-8H,9H2,1-3H3,(H2-,18,19,22,23,24);(H,2,3,4,5)