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

Systemtic Name: (3S)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-quinone Formula: C26H26N3O4+ MolecularWeight: 444.50234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=CC=C5O

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=CC=C5O

InChI

InChI=1S/C26H25N3O4/c30-24-9-5-4-8-22(24)27-14-16-28(17-15-27)23-18-25(31)29(26(23)32)19-10-12-21(13-11-19)33-20-6-2-1-3-7-20/h1-13,23,30H,14-18H2/p+1/t23-/m0/s1