N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(4-pyridylthio)acetamide Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CSC3=CC=NC=C3

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C17H20N4O2S/c22-17(13-24-15-3-5-18-6-4-15)20-12-14-1-2-16(19-11-14)21-7-9-23-10-8-21/h1-6,11H,7-10,12-13H2,(H,20,22)/p+1