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

Systemtic Name: 3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2-pyridin-3-yl-2H-pyrrol-4-olate Openeye Name: 3-(2,4-dimethylthiazole-5-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3-pyridyl)-2H-pyrrol-4-olate CAS Name: 3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2-(3-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate Traditional Name: 4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-5-(3-pyridyl)-3-pyrrolin-3-olate Formula: C21H24N4O4S MolecularWeight: 428.50466

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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)CC[NH+]4CCOCC4)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-13-20(30-14(2)23-13)18(26)16-17(15-4-3-5-22-12-15)25(21(28)19(16)27)7-6-24-8-10-29-11-9-24/h3-5,12,17,27H,6-11H2,1-2H3