4-ethyl-7-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-quinoxaline-2,3-dione

Systemtic Name: 4-ethyl-7-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-quinoxaline-2,3-dione Openeye Name: 4-ethyl-7-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]-1H-quinoxaline-2,3-dione CAS Name: 4-ethyl-7-[oxo-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]methyl]-1H-quinoxaline-2,3-dione IUPAC Name: 4-ethyl-7-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]-1H-quinoxaline-2,3-dione Traditional Name: 4-ethyl-7-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]-1H-quinoxaline-2,3-quinone Formula: C22H23N6O4S+ MolecularWeight: 467.52082

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=NC(=NO4)C5=CC=CS5)NC(=O)C1=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=NC(=NO4)C5=CC=CS5)NC(=O)C1=O

InChI

InChI=1S/C22H22N6O4S/c1-2-28-16-6-5-14(12-15(16)23-20(29)22(28)31)21(30)27-9-7-26(8-10-27)13-18-24-19(25-32-18)17-4-3-11-33-17/h3-6,11-12H,2,7-10,13H2,1H3,(H,23,29)/p+1