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

Systemtic Name: (3S)-3-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(3,4-dichlorophenyl)-1-piperazin-1-iumyl]-1-phenylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-quinone Formula: C20H20Cl2N3O2+ MolecularWeight: 405.2977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19Cl2N3O2/c21-16-7-6-15(12-17(16)22)23-8-10-24(11-9-23)18-13-19(26)25(20(18)27)14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2/p+1/t18-/m0/s1