3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2-phenyl-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-phenyl-2H-pyrrol-4-olate Openeye Name: 3-(2,4-dimethylthiazole-5-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-phenyl-2H-pyrrol-4-olate CAS Name: 3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2-phenyl-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-phenyl-2H-pyrrol-4-olate Traditional Name: 4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-3-pyrrolin-3-olate Formula: C22H25N3O4S MolecularWeight: 427.5166

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-14-21(30-15(2)23-14)19(26)17-18(16-6-4-3-5-7-16)25(22(28)20(17)27)9-8-24-10-12-29-13-11-24/h3-7,18,27H,8-13H2,1-2H3