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

Systemtic Name: 2-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(3-bromophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-3-(benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-3-[2-benzofuranyl(oxo)methyl]-2-(3-bromophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-3-(benzofuran-2-carbonyl)-2-(3-bromophenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C23H22BrN2O4+ MolecularWeight: 470.33578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O4/c1-25(2)10-11-26-20(15-7-5-8-16(24)12-15)19(22(28)23(26)29)21(27)18-13-14-6-3-4-9-17(14)30-18/h3-9,12-13,20,28H,10-11H2,1-2H3/p+1/t20-/m0/s1