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

Systemtic Name: 5-nitro-2-oxidanylidene-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide Openeye Name: 5-nitro-2-oxo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide CAS Name: 5-nitro-2-oxo-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide IUPAC Name: 5-nitro-2-oxo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide Traditional Name: 2-keto-5-nitro-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-1H-pyridine-3-carboxamide Formula: C18H21N4O4+ MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=CNC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=CNC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4/c23-17(16-9-15(22(25)26)11-20-18(16)24)19-10-13-3-5-14(6-4-13)12-21-7-1-2-8-21/h3-6,9,11H,1-2,7-8,10,12H2,(H,19,23)(H,20,24)/p+1