3-chloranyl-4,5-dimethoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 3-chloranyl-4,5-dimethoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 3-chloro-4,5-dimethoxy-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 3-chloro-4,5-dimethoxy-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 3-chloro-4,5-dimethoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 3-chloro-4,5-dimethoxy-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]benzamide Formula: C19H23ClN3O4+ MolecularWeight: 392.85662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O4/c1-25-16-10-14(9-15(20)18(16)26-2)19(24)22-12-13-3-4-17(21-11-13)23-5-7-27-8-6-23/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,24)/p+1