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

Systemtic Name: 2-[(2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2-phenyl-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2S)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2S)-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2S)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(5S)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-2-keto-5-phenyl-3-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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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=CC=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=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-5-24(6-2)12-13-25-18(16-10-8-7-9-11-16)17(20(27)22(25)28)19(26)21-14(3)23-15(4)29-21/h7-11,18,27H,5-6,12-13H2,1-4H3/p+1/t18-/m0/s1