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

Systemtic Name: 2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-(4-pentan-3-yl-1-pyridin-1-iumyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-3-17(4-2)18-10-13-23(14-11-18)15-20(24)22-12-9-16-5-7-19(8-6-16)27(21,25)26/h5-8,10-11,13-14,17H,3-4,9,12,15H2,1-2H3,(H2-,21,22,24,25,26)/p+1