(3S)-1-ethyl-3-[4-[4-(phenylcarbonyl)phenyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-ethyl-3-[4-[4-(phenylcarbonyl)phenyl]piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(4-benzoylphenyl)piperazin-1-ium-1-yl]-1-ethyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(4-benzoylphenyl)-1-piperazin-1-iumyl]-1-ethylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(4-benzoylphenyl)piperazin-1-ium-1-yl]-1-ethylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(4-benzoylphenyl)piperazin-1-ium-1-yl]-1-ethyl-pyrrolidine-2,5-quinone Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(C1=O)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C[C@@H](C1=O)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c1-2-26-21(27)16-20(23(26)29)25-14-12-24(13-15-25)19-10-8-18(9-11-19)22(28)17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3/p+1/t20-/m0/s1