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

Systemtic Name: 2-[(2R)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2-pyridin-3-yl-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2R)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-5-oxo-2-(3-pyridyl)-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2R)-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-4-hydroxy-5-oxo-2-(3-pyridinyl)-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(5R)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-2-keto-5-(3-pyridyl)-3-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)O)C(=O)C2=C(N=C(S2)C)C)C3=CN=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C(=C(C1=O)O)C(=O)C2=C(N=C(S2)C)C)C3=CN=CC=C3

InChI

InChI=1S/C21H26N4O3S/c1-5-24(6-2)10-11-25-17(15-8-7-9-22-12-15)16(19(27)21(25)28)18(26)20-13(3)23-14(4)29-20/h7-9,12,17,27H,5-6,10-11H2,1-4H3/p+1/t17-/m1/s1