3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate

Systemtic Name: 3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate Openeye Name: 3-(2,4-dimethylthiazole-5-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate CAS Name: 3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate IUPAC Name: 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate Traditional Name: 4-(2,4-dimethylthiazole-5-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-5-phenyl-3-pyrrolin-3-olate Formula: C22H22N4O3S MolecularWeight: 422.50008

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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)CCC[N+]4=CNC=C4)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CC=C3)CCC[N+]4=CNC=C4)[O-]

InChI

InChI=1S/C22H22N4O3S/c1-14-21(30-15(2)24-14)19(27)17-18(16-7-4-3-5-8-16)26(22(29)20(17)28)11-6-10-25-12-9-23-13-25/h3-5,7-9,12-13,18H,6,10-11H2,1-2H3,(H,27,28)