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

Systemtic Name: 5-methoxy-4-(2-methoxyethoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitro-benzamide Openeye Name: 5-methoxy-4-(2-methoxyethoxy)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-nitro-benzamide CAS Name: 5-methoxy-4-(2-methoxyethoxy)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-nitrobenzamide IUPAC Name: 5-methoxy-4-(2-methoxyethoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitrobenzamide Traditional Name: 5-methoxy-4-(2-methoxyethoxy)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-nitro-benzamide Formula: C21H27N4O7+ MolecularWeight: 447.46168

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)OC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)OC

InChI

InChI=1S/C21H26N4O7/c1-29-9-10-32-19-12-17(25(27)28)16(11-18(19)30-2)21(26)23-14-15-3-4-20(22-13-15)24-5-7-31-8-6-24/h3-4,11-13H,5-10,14H2,1-2H3,(H,23,26)/p+1