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

Systemtic Name: (2S)-3-ethanoyl-2-(3-nitrophenyl)-4-oxidanyl-1-(2-piperazine-1,4-diium-1-ylethyl)-2H-pyrrol-5-one Openeye Name: (2S)-3-acetyl-4-hydroxy-2-(3-nitrophenyl)-1-(2-piperazine-1,4-diium-1-ylethyl)-2H-pyrrol-5-one CAS Name: (2S)-3-acetyl-4-hydroxy-2-(3-nitrophenyl)-1-[2-(1-piperazine-1,4-diiumyl)ethyl]-2H-pyrrol-5-one IUPAC Name: (2S)-3-acetyl-4-hydroxy-2-(3-nitrophenyl)-1-(2-piperazine-1,4-diium-1-ylethyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-acetyl-3-hydroxy-5-(3-nitrophenyl)-1-(2-piperazine-1,4-diium-1-ylethyl)-3-pyrrolin-2-one Formula: C18H24N4O5+2 MolecularWeight: 376.40696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC(=CC=C2)[N+](=O)[O-])CC[NH+]3CC[NH2+]CC3)O

InChI

InChI=1S/C18H22N4O5/c1-12(23)15-16(13-3-2-4-14(11-13)22(26)27)21(18(25)17(15)24)10-9-20-7-5-19-6-8-20/h2-4,11,16,19,24H,5-10H2,1H3/p+2/t16-/m0/s1