3-[(2R)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2-pyridin-4-yl-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-pyridin-4-yl-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-5-oxo-2-(4-pyridyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5R)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-2-keto-5-(4-pyridyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-12-19(28-13(2)22-12)17(25)15-16(14-6-8-21-9-7-14)24(20(27)18(15)26)11-5-10-23(3)4/h6-9,16,26H,5,10-11H2,1-4H3/p+1/t16-/m1/s1