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

Systemtic Name: 3-[(2S)-2-(2,4-dichlorophenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-(2-hydroxyethyl)azanium Openeye Name: 3-[(2S)-3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-(2-hydroxyethyl)ammonium CAS Name: 3-[(2S)-3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-(2-hydroxyethyl)ammonium IUPAC Name: 3-[(2S)-3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-(2-hydroxyethyl)azanium Traditional Name: 3-[(2S)-3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propyl-(2-hydroxyethyl)ammonium Formula: C17H21Cl2N2O4+ MolecularWeight: 388.26564

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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)CCC[NH2+]CCO)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=C(C=C(C=C2)Cl)Cl)CCC[NH2+]CCO)O

InChI

InChI=1S/C17H20Cl2N2O4/c1-10(23)14-15(12-4-3-11(18)9-13(12)19)21(17(25)16(14)24)7-2-5-20-6-8-22/h3-4,9,15,20,22,24H,2,5-8H2,1H3/p+1/t15-/m1/s1