2-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(3-bromophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(3-bromophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2S)-3-(benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2S)-3-[2-benzofuranyl(oxo)methyl]-2-(3-bromophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2S)-3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(2S)-3-(benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C25H26BrN2O4+ MolecularWeight: 498.38894

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC(=CC=C4)Br

Isomeric SMILES

CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H25BrN2O4/c1-3-27(4-2)12-13-28-22(17-9-7-10-18(26)14-17)21(24(30)25(28)31)23(29)20-15-16-8-5-6-11-19(16)32-20/h5-11,14-15,22,30H,3-4,12-13H2,1-2H3/p+1/t22-/m0/s1