3-cyano-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide

Systemtic Name: 3-cyano-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Openeye Name: 3-cyano-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide CAS Name: 3-cyano-N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 3-cyano-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Traditional Name: 3-cyano-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide Formula: C17H19N4O3S+ MolecularWeight: 359.42276

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)CNS(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)CNS(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H18N4O3S/c18-12-14-3-1-5-16(11-14)25(22,23)20-13-15-4-2-6-19-17(15)21-7-9-24-10-8-21/h1-6,11,20H,7-10,13H2/p+1