3-[(2R)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-2-(3-fluorophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2R)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-2-(3-fluorophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-3-(2,4-dimethylthiazole-5-carbonyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-3-(2,4-dimethylthiazole-5-carbonyl)-2-(3-fluorophenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C21H25FN3O3S+ MolecularWeight: 418.504903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)F)CCC[NH+](C)C)O

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N([C@@H]2C3=CC(=CC=C3)F)CCC[NH+](C)C)O

InChI

InChI=1S/C21H24FN3O3S/c1-12-20(29-13(2)23-12)18(26)16-17(14-7-5-8-15(22)11-14)25(21(28)19(16)27)10-6-9-24(3)4/h5,7-8,11,17,27H,6,9-10H2,1-4H3/p+1/t17-/m1/s1