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

Systemtic Name: 2-(4-chlorophenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(4-chlorophenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(4-chlorophenyl)-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(4-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(4-chlorophenyl)-4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-3-olate Formula: C23H26ClN3O4S MolecularWeight: 475.98824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O4S/c1-14-22(32-15(2)25-14)20(28)18-19(16-4-6-17(24)7-5-16)27(23(30)21(18)29)9-3-8-26-10-12-31-13-11-26/h4-7,19,29H,3,8-13H2,1-2H3