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

Systemtic Name: 4-methoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-nitro-benzamide Formula: C18H21N4O5+ MolecularWeight: 373.38314

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5/c1-26-16-4-3-14(10-15(16)22(24)25)18(23)20-12-13-2-5-17(19-11-13)21-6-8-27-9-7-21/h2-5,10-11H,6-9,12H2,1H3,(H,20,23)/p+1