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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitro-benzamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-nitro-benzamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-nitrobenzamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-nitrobenzamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-nitro-benzamide Formula: C17H19N4O4+ MolecularWeight: 343.35716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4/c22-17(14-3-1-2-4-15(14)21(23)24)19-12-13-5-6-16(18-11-13)20-7-9-25-10-8-20/h1-6,11H,7-10,12H2,(H,19,22)/p+1