2-(2,4-dichlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: 2-(2,4-dichlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(2,4-dichlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(2,4-dichlorophenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: 2-(2,4-dichlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 5-(2,4-dichlorophenyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H22Cl2N2O4S MolecularWeight: 481.39208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H22Cl2N2O4S/c23-14-4-5-15(16(24)13-14)19-18(20(27)17-3-1-12-31-17)21(28)22(29)26(19)7-2-6-25-8-10-30-11-9-25/h1,3-5,12-13,19,28H,2,6-11H2