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

Systemtic Name: (3R)-3-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(3,4-dichlorophenyl)-1-piperazin-1-iumyl]-1-phenethylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-phenethylpyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-quinone Formula: C22H24Cl2N3O2+ MolecularWeight: 433.35086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23Cl2N3O2/c23-18-7-6-17(14-19(18)24)25-10-12-26(13-11-25)20-15-21(28)27(22(20)29)9-8-16-4-2-1-3-5-16/h1-7,14,20H,8-13,15H2/p+1/t20-/m1/s1