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

Systemtic Name: (3R)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]-1-phenethylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-1-phenethylpyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-quinone Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)CCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)CCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN3O2/c24-20-8-6-19(7-9-20)17-25-12-14-26(15-13-25)21-16-22(28)27(23(21)29)11-10-18-4-2-1-3-5-18/h1-9,21H,10-17H2/p+1/t21-/m1/s1