2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

Systemtic Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-(2,3-dimethyl-1-pyridin-1-iumyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C

Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C

InChI

InChI=1S/C17H21N3O3S/c1-13-4-3-11-20(14(13)2)12-17(21)19-10-9-15-5-7-16(8-6-15)24(18,22)23/h3-8,11H,9-10,12H2,1-2H3,(H2-,18,19,21,22,23)/p+1