(2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanoate

Systemtic Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanoate Openeye Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate CAS Name: 2-(2,4,6-trimethyl-1-pyridin-1-iumyl)acetic acid (2-sulfamoyl-1,3-benzothiazol-6-yl) ester IUPAC Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetic acid (2-sulfamoyl-1,3-benzothiazol-6-yl) ester Formula: C17H18N3O4S2+ MolecularWeight: 392.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)CC(=O)OC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)CC(=O)OC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)C

InChI

InChI=1S/C17H18N3O4S2/c1-10-6-11(2)20(12(3)7-10)9-16(21)24-13-4-5-14-15(8-13)25-17(19-14)26(18,22)23/h4-8H,9H2,1-3H3,(H2,18,22,23)/q+1