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

Systemtic Name: 3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-pyridin-3-yl-2H-pyrrol-4-olate Openeye Name: 3-(2,4-dimethylthiazole-5-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(3-pyridyl)-2H-pyrrol-4-olate CAS Name: 3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2-(3-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate Traditional Name: 4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-5-(3-pyridyl)-3-pyrrolin-3-olate Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CN=CC=C3)CCC[NH+]4CCOCC4)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CN=CC=C3)CCC[NH+]4CCOCC4)[O-]

InChI

InChI=1S/C22H26N4O4S/c1-14-21(31-15(2)24-14)19(27)17-18(16-5-3-6-23-13-16)26(22(29)20(17)28)8-4-7-25-9-11-30-12-10-25/h3,5-6,13,18,28H,4,7-12H2,1-2H3