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

Systemtic Name: (2S)-1-(3-azaniumylpropyl)-3-ethanoyl-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-(3-azaniumylpropyl)-5-oxo-2-phenyl-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-(3-ammoniopropyl)-5-oxo-2-phenyl-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-(3-azaniumylpropyl)-5-oxo-2-phenyl-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-(3-ammoniopropyl)-2-keto-5-phenyl-3-pyrrolin-3-olate Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3/c1-10(18)12-13(11-6-3-2-4-7-11)17(9-5-8-16)15(20)14(12)19/h2-4,6-7,13,19H,5,8-9,16H2,1H3/t13-/m0/s1