4-[bis(fluoranyl)methylsulfonyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 4-[bis(fluoranyl)methylsulfonyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-(difluoromethylsulfonyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-(difluoromethylsulfonyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-(difluoromethylsulfonyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-(difluoromethylsulfonyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C18H20F2N3O4S+ MolecularWeight: 412.430906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F2N3O4S/c19-18(20)28(25,26)15-4-2-14(3-5-15)17(24)22-12-13-1-6-16(21-11-13)23-7-9-27-10-8-23/h1-6,11,18H,7-10,12H2,(H,22,24)/p+1