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

Systemtic Name: (3R)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(2-thienylmethyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-1-(2-thenyl)pyrrolidine-2,5-quinone Formula: C20H21N4O2S2+ MolecularWeight: 413.53634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)CC3=CC=CS3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)CC3=CC=CS3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H20N4O2S2/c25-18-12-16(19(26)24(18)13-14-4-3-11-27-14)22-7-9-23(10-8-22)20-21-15-5-1-2-6-17(15)28-20/h1-6,11,16H,7-10,12-13H2/p+1/t16-/m1/s1