3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-5-oxidanylidene-2-(4-propan-2-ylphenyl)-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate

Systemtic Name: 3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-5-oxidanylidene-2-(4-propan-2-ylphenyl)-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-(2,4-dimethylthiazole-5-carbonyl)-2-(4-isopropylphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-5-oxo-2-(4-propan-2-ylphenyl)-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-(4-propan-2-ylphenyl)-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-5-p-cumenyl-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(C)C)CC4=C[NH+]=CC=C4)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(C)C)CC4=C[NH+]=CC=C4)[O-]

InChI

InChI=1S/C25H25N3O3S/c1-14(2)18-7-9-19(10-8-18)21-20(22(29)24-15(3)27-16(4)32-24)23(30)25(31)28(21)13-17-6-5-11-26-12-17/h5-12,14,21,30H,13H2,1-4H3