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

Systemtic Name: (3R)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-phenethylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-phenethylpyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-quinone Formula: C22H25ClN3O2+ MolecularWeight: 398.9058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O2/c23-18-7-4-8-19(15-18)24-11-13-25(14-12-24)20-16-21(27)26(22(20)28)10-9-17-5-2-1-3-6-17/h1-8,15,20H,9-14,16H2/p+1/t20-/m1/s1