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

Systemtic Name: (3R)-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-(4-benzoyl-1-piperazin-1-iumyl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-(4-propoxyphenyl)pyrrolidine-2,5-quinone Formula: C24H28N3O4+ MolecularWeight: 422.49682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4/c1-2-16-31-20-10-8-19(9-11-20)27-22(28)17-21(24(27)30)25-12-14-26(15-13-25)23(29)18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3/p+1/t21-/m1/s1