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

Systemtic Name: 2-methoxy-4-methylsulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 2-methoxy-4-methylsulfanyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 2-methoxy-4-(methylthio)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 2-methoxy-4-methylsulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 2-methoxy-4-(methylthio)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C19H23N3O3S/c1-24-17-11-15(26-2)4-5-16(17)19(23)21-13-14-3-6-18(20-12-14)22-7-9-25-10-8-22/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,23)/p+1