2-(2-bromanyl-4,5-dimethoxy-phenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4,5-dimethoxy-phenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide Formula: C20H25BrN3O4+ MolecularWeight: 451.3342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O4/c1-26-17-9-15(16(21)11-18(17)27-2)10-20(25)23-13-14-3-4-19(22-12-14)24-5-7-28-8-6-24/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H,23,25)/p+1