N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-nitro-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-nitro-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide Traditional Name: 2-keto-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-5-nitro-1H-pyridine-3-carboxamide Formula: C18H21N4O5+ MolecularWeight: 373.38314

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)CNC(=O)C3=CC(=CNC3=O)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)CNC(=O)C3=CC(=CNC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5/c23-17(16-9-15(22(25)26)11-20-18(16)24)19-10-13-1-3-14(4-2-13)12-21-5-7-27-8-6-21/h1-4,9,11H,5-8,10,12H2,(H,19,23)(H,20,24)/p+1