(2S)-1-(2-azaniumylethyl)-3-ethanoyl-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-(2-azaniumylethyl)-3-ethanoyl-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-(2-azaniumylethyl)-5-oxo-2-phenyl-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-(2-ammonioethyl)-5-oxo-2-phenyl-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-(2-azaniumylethyl)-5-oxo-2-phenyl-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-(2-ammonioethyl)-2-keto-5-phenyl-3-pyrrolin-3-olate Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CC[NH3+])[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC=CC=C2)CC[NH3+])[O-]

InChI

InChI=1S/C14H16N2O3/c1-9(17)11-12(10-5-3-2-4-6-10)16(8-7-15)14(19)13(11)18/h2-6,12,18H,7-8,15H2,1H3/t12-/m0/s1