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

Systemtic Name: 2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-(3-phenyl-1-pyridin-1-iumyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-(3-phenylpyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C[N+](=CC=C2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C[N+](=CC=C2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H21N3O3S/c22-28(26,27)20-10-8-17(9-11-20)12-13-23-21(25)16-24-14-4-7-19(15-24)18-5-2-1-3-6-18/h1-11,14-15H,12-13,16H2,(H2-,22,23,25,26,27)/p+1