2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanoate

Systemtic Name: 2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanoate Openeye Name: 2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate CAS Name: 2-(2,4,6-trimethyl-1-pyridin-1-iumyl)acetic acid 2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl ester IUPAC Name: 2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetic acid 2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl ester Formula: C19H22N3O5S2+ MolecularWeight: 436.52508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)CC(=O)OCCOC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)CC(=O)OCCOC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)C

InChI

InChI=1S/C19H22N3O5S2/c1-12-8-13(2)22(14(3)9-12)11-18(23)27-7-6-26-15-4-5-16-17(10-15)28-19(21-16)29(20,24)25/h4-5,8-10H,6-7,11H2,1-3H3,(H2,20,24,25)/q+1