4,5-dimethoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-nitro-benzamide Formula: C19H23N4O6+ MolecularWeight: 403.40912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H22N4O6/c1-27-16-9-14(15(23(25)26)10-17(16)28-2)19(24)21-12-13-3-4-18(20-11-13)22-5-7-29-8-6-22/h3-4,9-11H,5-8,12H2,1-2H3,(H,21,24)/p+1