(3R)-1-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-ethoxyphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-phenylpiperazin-1-ium-1-yl)-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C22H26N3O3+ MolecularWeight: 380.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3/c1-2-28-19-10-8-18(9-11-19)25-21(26)16-20(22(25)27)24-14-12-23(13-15-24)17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3/p+1/t20-/m1/s1