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

Systemtic Name: (3S)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-1-phenylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-quinone Formula: C20H21ClN3O2+ MolecularWeight: 370.85264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H20ClN3O2/c21-16-8-4-5-9-17(16)22-10-12-23(13-11-22)18-14-19(25)24(20(18)26)15-6-2-1-3-7-15/h1-9,18H,10-14H2/p+1/t18-/m0/s1