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

Systemtic Name: (3R)-1-(4-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-bromophenyl)-3-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-1-(4-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C16H21BrN3O3+ MolecularWeight: 383.26024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)CCO

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)CCO

InChI

InChI=1S/C16H20BrN3O3/c17-12-1-3-13(4-2-12)20-15(22)11-14(16(20)23)19-7-5-18(6-8-19)9-10-21/h1-4,14,21H,5-11H2/p+1/t14-/m1/s1