(2S)-2-(2-chlorophenyl)-1-[2-(dimethylazaniumyl)ethyl]-3-ethanoyl-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(2-chlorophenyl)-1-[2-(dimethylazaniumyl)ethyl]-3-ethanoyl-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-2-(2-chlorophenyl)-1-[2-(dimethylammonio)ethyl]-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-2-(2-chlorophenyl)-1-[2-(dimethylammonio)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-2-(2-chlorophenyl)-1-[2-(dimethylazaniumyl)ethyl]-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-5-(2-chlorophenyl)-1-[2-(dimethylammonio)ethyl]-2-keto-3-pyrrolin-3-olate Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2Cl)CC[NH+](C)C)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC=CC=C2Cl)CC[NH+](C)C)[O-]

InChI

InChI=1S/C16H19ClN2O3/c1-10(20)13-14(11-6-4-5-7-12(11)17)19(9-8-18(2)3)16(22)15(13)21/h4-7,14,21H,8-9H2,1-3H3/t14-/m1/s1