(3R)-1-phenethyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-phenethyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-phenethyl-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-phenethyl-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-phenethyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-phenethyl-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C20H24N3O4S2+ MolecularWeight: 434.55226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N3O4S2/c24-18-15-17(20(25)23(18)9-8-16-5-2-1-3-6-16)21-10-12-22(13-11-21)29(26,27)19-7-4-14-28-19/h1-7,14,17H,8-13,15H2/p+1/t17-/m1/s1