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

Systemtic Name: 2-(3-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(3-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(3-bromophenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: 2-(3-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 5-(3-bromophenyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O4S/c23-16-5-1-4-15(14-16)19-18(20(26)17-6-2-13-30-17)21(27)22(28)25(19)8-3-7-24-9-11-29-12-10-24/h1-2,4-6,13-14,19,27H,3,7-12H2