3-[(2R)-3-ethanoyl-2-(3-fluorophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-(2-hydroxyethyl)azanium

Systemtic Name: 3-[(2R)-3-ethanoyl-2-(3-fluorophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-(2-hydroxyethyl)azanium Openeye Name: 3-[(2R)-3-acetyl-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-(2-hydroxyethyl)ammonium CAS Name: 3-[(2R)-3-acetyl-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-(2-hydroxyethyl)ammonium IUPAC Name: 3-[(2R)-3-acetyl-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-(2-hydroxyethyl)azanium Traditional Name: 3-[(2R)-3-acetyl-2-(3-fluorophenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propyl-(2-hydroxyethyl)ammonium Formula: C17H22FN2O4+ MolecularWeight: 337.365983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)F)CCC[NH2+]CCO)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC(=CC=C2)F)CCC[NH2+]CCO)O

InChI

InChI=1S/C17H21FN2O4/c1-11(22)14-15(12-4-2-5-13(18)10-12)20(17(24)16(14)23)8-3-6-19-7-9-21/h2,4-5,10,15,19,21,23H,3,6-9H2,1H3/p+1/t15-/m1/s1