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

Systemtic Name: 2-[(2S)-2-(3,4-dichlorophenyl)-3-(furan-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-2-(3,4-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-2-(3,4-dichlorophenyl)-3-[2-furanyl(oxo)methyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-2-(3,4-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-2-(3,4-dichlorophenyl)-3-(2-furoyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C19H19Cl2N2O4+ MolecularWeight: 410.27116

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C[NH+](C)CCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H18Cl2N2O4/c1-22(2)7-8-23-16(11-5-6-12(20)13(21)10-11)15(18(25)19(23)26)17(24)14-4-3-9-27-14/h3-6,9-10,16,25H,7-8H2,1-2H3/p+1/t16-/m0/s1