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

Systemtic Name: (3S)-1-(4-chlorophenyl)-3-[4-(2-phenylethanoyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-chlorophenyl)-3-[4-(2-phenylacetyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-chlorophenyl)-3-[4-(1-oxo-2-phenylethyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-chlorophenyl)-3-[4-(2-phenylacetyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-chlorophenyl)-3-[4-(2-phenylacetyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C22H23ClN3O3+ MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3O3/c23-17-6-8-18(9-7-17)26-21(28)15-19(22(26)29)24-10-12-25(13-11-24)20(27)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2/p+1/t19-/m0/s1