(2S)-3-ethanoyl-4-oxidanyl-2-phenyl-1-(2-piperazine-1,4-diium-1-ylethyl)-2H-pyrrol-5-one

Systemtic Name: (2S)-3-ethanoyl-4-oxidanyl-2-phenyl-1-(2-piperazine-1,4-diium-1-ylethyl)-2H-pyrrol-5-one Openeye Name: (2S)-3-acetyl-4-hydroxy-2-phenyl-1-(2-piperazine-1,4-diium-1-ylethyl)-2H-pyrrol-5-one CAS Name: (2S)-3-acetyl-4-hydroxy-2-phenyl-1-[2-(1-piperazine-1,4-diiumyl)ethyl]-2H-pyrrol-5-one IUPAC Name: (2S)-3-acetyl-4-hydroxy-2-phenyl-1-(2-piperazine-1,4-diium-1-ylethyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-acetyl-3-hydroxy-5-phenyl-1-(2-piperazine-1,4-diium-1-ylethyl)-3-pyrrolin-2-one Formula: C18H25N3O3+2 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CC[NH+]3CC[NH2+]CC3)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC=CC=C2)CC[NH+]3CC[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/p+2/t16-/m0/s1