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

Systemtic Name: (3S)-1-(4-ethanoylphenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-acetylphenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-acetylphenyl)-3-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-acetylphenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-acetylphenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C22H24N3O4+ MolecularWeight: 394.44366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-15(26)16-6-8-17(9-7-16)25-21(28)14-19(22(25)29)24-12-10-23(11-13-24)18-4-2-3-5-20(18)27/h2-9,19,27H,10-14H2,1H3/p+1/t19-/m0/s1