2-[bis(fluoranyl)methylsulfanyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-(difluoromethylsulfanyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide CAS Name: 2-(difluoromethylthio)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(difluoromethylsulfanyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-(difluoromethylthio)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]nicotinamide Formula: C17H19F2N4O2S+ MolecularWeight: 381.420166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18F2N4O2S/c18-17(19)26-16-13(2-1-5-20-16)15(24)22-11-12-3-4-14(21-10-12)23-6-8-25-9-7-23/h1-5,10,17H,6-9,11H2,(H,22,24)/p+1