4-cyano-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide

Systemtic Name: 4-cyano-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Openeye Name: 4-cyano-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide CAS Name: 4-cyano-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-cyano-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzenesulfonamide Traditional Name: 4-cyano-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzenesulfonamide Formula: C17H19N4O3S+ MolecularWeight: 359.42276

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C#N

InChI

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