N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C19H21N4O6+ MolecularWeight: 401.39324

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C19H20N4O6/c24-19(14-9-16-17(29-8-7-28-16)10-15(14)23(25)26)21-12-13-1-2-18(20-11-13)22-3-5-27-6-4-22/h1-2,9-11H,3-8,12H2,(H,21,24)/p+1