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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide Formula: C17H19F3N3O3S+ MolecularWeight: 402.41127

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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(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C17H18F3N3O3S/c18-17(19,20)14-2-4-15(5-3-14)27(24,25)22-12-13-1-6-16(21-11-13)23-7-9-26-10-8-23/h1-6,11,22H,7-10,12H2/p+1