(2S)-3-ethanoyl-2-(4-fluorophenyl)-1-[3-(2-hydroxyethylazaniumyl)propyl]-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-ethanoyl-2-(4-fluorophenyl)-1-[3-(2-hydroxyethylazaniumyl)propyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-2-(4-fluorophenyl)-1-[3-(2-hydroxyethylammonio)propyl]-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-2-(4-fluorophenyl)-1-[3-(2-hydroxyethylammonio)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-2-(4-fluorophenyl)-1-[3-(2-hydroxyethylazaniumyl)propyl]-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-5-(4-fluorophenyl)-1-[3-(2-hydroxyethylammonio)propyl]-2-keto-3-pyrrolin-3-olate Formula: C17H21FN2O4 MolecularWeight: 336.358043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21FN2O4/c1-11(22)14-15(12-3-5-13(18)6-4-12)20(17(24)16(14)23)9-2-7-19-8-10-21/h3-6,15,19,21,23H,2,7-10H2,1H3/t15-/m0/s1