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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)CCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)CCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c27-21-17-20(23(29)26(21)12-11-18-7-3-1-4-8-18)24-13-15-25(16-14-24)22(28)19-9-5-2-6-10-19/h1-10,20H,11-17H2/p+1/t20-/m0/s1