(2S)-3-ethanoyl-1-[3-(2-hydroxyethylazaniumyl)propyl]-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-ethanoyl-1-[3-(2-hydroxyethylazaniumyl)propyl]-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-[3-(2-hydroxyethylammonio)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-[3-(2-hydroxyethylammonio)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-[3-(2-hydroxyethylazaniumyl)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-[3-(2-hydroxyethylammonio)propyl]-2-keto-5-phenyl-3-pyrrolin-3-olate Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CCC[NH2+]CCO)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-12(21)14-15(13-6-3-2-4-7-13)19(17(23)16(14)22)10-5-8-18-9-11-20/h2-4,6-7,15,18,20,22H,5,8-11H2,1H3/t15-/m0/s1