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

Systemtic Name: 3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitro-benzamide Openeye Name: 3-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-nitro-benzamide CAS Name: 3-methyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-nitrobenzamide IUPAC Name: 3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitrobenzamide Traditional Name: 3-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-nitro-benzamide Formula: C18H21N4O4+ MolecularWeight: 357.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C18H20N4O4/c1-13-3-2-4-15(17(13)22(24)25)18(23)20-12-14-5-6-16(19-11-14)21-7-9-26-10-8-21/h2-6,11H,7-10,12H2,1H3,(H,20,23)/p+1