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

Systemtic Name: (3R)-1-(2-ethylphenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-3-(4-benzylpiperazin-1-ium-1-yl)-1-(2-ethylphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(2-ethylphenyl)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(4-benzylpiperazin-1-ium-1-yl)-1-(2-ethylphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-benzylpiperazin-1-ium-1-yl)-1-(2-ethylphenyl)pyrrolidine-2,5-quinone Formula: C23H28N3O2+ MolecularWeight: 378.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)CC(C2=O)[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c1-2-19-10-6-7-11-20(19)26-22(27)16-21(23(26)28)25-14-12-24(13-15-25)17-18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3/p+1/t21-/m1/s1