3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-5-oxidanylidene-2-phenyl-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-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-(2,4-dimethylthiazole-5-carbonyl)-5-oxo-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-5-oxo-2-phenyl-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-5-phenyl-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c1-13-21(29-14(2)24-13)19(26)17-18(16-8-4-3-5-9-16)25(22(28)20(17)27)12-15-7-6-10-23-11-15/h3-11,18,27H,12H2,1-2H3