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

Systemtic Name: 3-[(2S)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-5-oxo-2-(2-thienyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-4-hydroxy-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-2-keto-5-(2-thienyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C19H24N3O3S2+ MolecularWeight: 406.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CS3)CCC[NH+](C)C)O

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N([C@@H]2C3=CC=CS3)CCC[NH+](C)C)O

InChI

InChI=1S/C19H23N3O3S2/c1-11-18(27-12(2)20-11)16(23)14-15(13-7-5-10-26-13)22(19(25)17(14)24)9-6-8-21(3)4/h5,7,10,15,24H,6,8-9H2,1-4H3/p+1/t15-/m1/s1