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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 2-(cyanomethylthio)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 2-(cyanomethylthio)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C19H20N4O2S/c20-7-12-26-17-4-2-1-3-16(17)19(24)22-14-15-5-6-18(21-13-15)23-8-10-25-11-9-23/h1-6,13H,8-12,14H2,(H,22,24)/p+1