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

Systemtic Name: (3R)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-phenethylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-phenethylpyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-quinone Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)CCC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)CCC3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C22H25N3O3/c26-20-9-5-4-8-18(20)23-12-14-24(15-13-23)19-16-21(27)25(22(19)28)11-10-17-6-2-1-3-7-17/h1-9,19,26H,10-16H2/p+1/t19-/m1/s1