5-nitro-2-oxidanylidene-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-pyridine-3-carboxamide

Systemtic Name: 5-nitro-2-oxidanylidene-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-pyridine-3-carboxamide Openeye Name: 5-nitro-2-oxo-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-pyridine-3-carboxamide CAS Name: 5-nitro-2-oxo-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-pyridine-3-carboxamide IUPAC Name: 5-nitro-2-oxo-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-pyridine-3-carboxamide Traditional Name: 2-keto-5-nitro-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-pyridine-3-carboxamide Formula: C18H21N4O4+ MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC(=CNC1=O)[N+](=O)[O-])[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H](CNC(=O)C1=CC(=CNC1=O)[N+](=O)[O-])[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H20N4O4/c1-12(21-7-6-13-4-2-3-5-14(13)11-21)9-19-17(23)16-8-15(22(25)26)10-20-18(16)24/h2-5,8,10,12H,6-7,9,11H2,1H3,(H,19,23)(H,20,24)/p+1/t12-/m1/s1