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

Systemtic Name: 2-(3-bromophenyl)-3-(furan-2-ylcarbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(3-bromophenyl)-3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(3-bromophenyl)-3-[2-furanyl(oxo)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(3-bromophenyl)-3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(3-bromophenyl)-4-(2-furoyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolin-3-olate Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CO3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1COCC[NH+]1CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H21BrN2O5/c22-15-4-1-3-14(13-15)18-17(19(25)16-5-2-10-29-16)20(26)21(27)24(18)7-6-23-8-11-28-12-9-23/h1-5,10,13,18,26H,6-9,11-12H2