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

Systemtic Name: (3S)-3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(4-chlorophenyl)-1-piperazin-1-iumyl]-1-phenethylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]-1-phenethylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(4-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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O2/c23-18-6-8-19(9-7-18)24-12-14-25(15-13-24)20-16-21(27)26(22(20)28)11-10-17-4-2-1-3-5-17/h1-9,20H,10-16H2/p+1/t20-/m0/s1