(3S)-1-(4-bromophenyl)-3-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-bromophenyl)-3-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-bromophenyl)-3-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-bromophenyl)-3-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-bromophenyl)-3-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-bromophenyl)-3-[4-(2-thenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C19H21BrN3O2S+ MolecularWeight: 435.35794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)CC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)CC4=CC=CS4

InChI

InChI=1S/C19H20BrN3O2S/c20-14-3-5-15(6-4-14)23-18(24)12-17(19(23)25)22-9-7-21(8-10-22)13-16-2-1-11-26-16/h1-6,11,17H,7-10,12-13H2/p+1/t17-/m0/s1