2-(3-oxidanylpyridin-1-ium-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(3-oxidanylpyridin-1-ium-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(3-hydroxy-1-pyridin-1-iumyl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[N+]3=CC=CC(=C3)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C17H19N3O4S/c21-15-6-4-8-19(12-15)13-17(22)18-14-5-3-7-16(11-14)25(23,24)20-9-1-2-10-20/h3-8,11-12H,1-2,9-10,13H2,(H-,18,21,22)/p+1