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

Systemtic Name: 3-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(3-chlorophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-3-(benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-3-[2-benzofuranyl(oxo)methyl]-2-(3-chlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-3-(1-benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2S)-3-(benzofuran-2-carbonyl)-2-(3-chlorophenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C24H24ClN2O4+ MolecularWeight: 439.91136

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC(=CC=C4)Cl

Isomeric SMILES

C[NH+](C)CCCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H23ClN2O4/c1-26(2)11-6-12-27-21(16-8-5-9-17(25)13-16)20(23(29)24(27)30)22(28)19-14-15-7-3-4-10-18(15)31-19/h3-5,7-10,13-14,21,29H,6,11-12H2,1-2H3/p+1/t21-/m0/s1