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

Systemtic Name: 2-[(2S)-2-(2,4-dichlorophenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C16H19Cl2N2O3+ MolecularWeight: 358.23966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=C(C=C(C=C2)Cl)Cl)CC[NH+](C)C)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=C(C=C(C=C2)Cl)Cl)CC[NH+](C)C)O

InChI

InChI=1S/C16H18Cl2N2O3/c1-9(21)13-14(11-5-4-10(17)8-12(11)18)20(7-6-19(2)3)16(23)15(13)22/h4-5,8,14,22H,6-7H2,1-3H3/p+1/t14-/m1/s1