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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(trifluoromethylsulfanyl)benzamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-(trifluoromethylsulfanyl)benzamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-(trifluoromethylthio)benzamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(trifluoromethylsulfanyl)benzamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-(trifluoromethylthio)benzamide Formula: C18H19F3N3O2S+ MolecularWeight: 398.42257

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O2S/c19-18(20,21)27-15-4-2-14(3-5-15)17(25)23-12-13-1-6-16(22-11-13)24-7-9-26-10-8-24/h1-6,11H,7-10,12H2,(H,23,25)/p+1