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

Systemtic Name: 3-[(2R)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2-phenyl-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5R)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-2-keto-5-phenyl-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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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)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)CCC[NH+](C)C)O

InChI

InChI=1S/C21H25N3O3S/c1-13-20(28-14(2)22-13)18(25)16-17(15-9-6-5-7-10-15)24(21(27)19(16)26)12-8-11-23(3)4/h5-7,9-10,17,26H,8,11-12H2,1-4H3/p+1/t17-/m1/s1