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

Systemtic Name: 2-methylsulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]nicotinamide Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C17H20N4O2S/c1-24-17-14(3-2-6-18-17)16(22)20-12-13-4-5-15(19-11-13)21-7-9-23-10-8-21/h2-6,11H,7-10,12H2,1H3,(H,20,22)/p+1