N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-6-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-6-keto-1H-pyridine-3-carboxamide Formula: C18H21FN3O3+ MolecularWeight: 346.376043

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CNC(=O)C=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CNC(=O)C=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN3O3/c19-15-4-1-13(2-5-15)16(22-7-9-25-10-8-22)12-21-18(24)14-3-6-17(23)20-11-14/h1-6,11,16H,7-10,12H2,(H,20,23)(H,21,24)/p+1/t16-/m0/s1