5-nitro-2-oxidanylidene-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-pyridine-3-carboxamide

Systemtic Name: 5-nitro-2-oxidanylidene-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-pyridine-3-carboxamide Openeye Name: 5-nitro-2-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-pyridine-3-carboxamide CAS Name: 5-nitro-2-oxo-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-1H-pyridine-3-carboxamide IUPAC Name: 5-nitro-2-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-1H-pyridine-3-carboxamide Traditional Name: 2-keto-5-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-pyridine-3-carboxamide Formula: C18H21N4O4+ MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC(=CNC2=O)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC(=CNC2=O)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O4/c23-17-15(10-14(11-19-17)22(25)26)18(24)20-12-16(21-8-4-5-9-21)13-6-2-1-3-7-13/h1-3,6-7,10-11,16H,4-5,8-9,12H2,(H,19,23)(H,20,24)/p+1/t16-/m0/s1