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

Systemtic Name: 2-chloranyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-nitro-benzamide Formula: C17H18ClN4O4+ MolecularWeight: 377.80222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O4/c18-15-9-13(22(24)25)2-3-14(15)17(23)20-11-12-1-4-16(19-10-12)21-5-7-26-8-6-21/h1-4,9-10H,5-8,11H2,(H,20,23)/p+1