(2S)-3-ethanoyl-5-oxidanylidene-2-phenyl-1-(2-piperazin-4-ium-1-ylethyl)-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-ethanoyl-5-oxidanylidene-2-phenyl-1-(2-piperazin-4-ium-1-ylethyl)-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-5-oxo-2-phenyl-1-(2-piperazin-4-ium-1-ylethyl)-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-5-oxo-2-phenyl-1-[2-(1-piperazin-4-iumyl)ethyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-5-oxo-2-phenyl-1-(2-piperazin-4-ium-1-ylethyl)-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-2-keto-5-phenyl-1-(2-piperazin-4-ium-1-ylethyl)-3-pyrrolin-3-olate Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CCN3CC[NH2+]CC3)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC=CC=C2)CCN3CC[NH2+]CC3)[O-]

InChI

InChI=1S/C18H23N3O3/c1-13(22)15-16(14-5-3-2-4-6-14)21(18(24)17(15)23)12-11-20-9-7-19-8-10-20/h2-6,16,19,23H,7-12H2,1H3/t16-/m0/s1