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

Systemtic Name: (3R)-1-(3-ethoxyphenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(3-ethoxyphenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(3-ethoxyphenyl)-3-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(3-ethoxyphenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-m-phenetyl-pyrrolidine-2,5-quinone Formula: C22H26N3O4+ MolecularWeight: 396.45954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CCOC1=CC=CC(=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C22H25N3O4/c1-2-29-17-7-5-6-16(14-17)25-21(27)15-19(22(25)28)24-12-10-23(11-13-24)18-8-3-4-9-20(18)26/h3-9,14,19,26H,2,10-13,15H2,1H3/p+1/t19-/m1/s1