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

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-phenyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-phenyl-2H-pyrrol-4-olate IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c25-20(17-8-4-15-29-17)18-19(16-6-2-1-3-7-16)24(22(27)21(18)26)10-5-9-23-11-13-28-14-12-23/h1-4,6-8,15,19,26H,5,9-14H2