2-methyl-5-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-methyl-5-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-methyl-5-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-methyl-5-[oxo-[4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-methyl-5-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-methyl-5-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]isoindoline-1,3-quinone Formula: C21H20N5O4S+ MolecularWeight: 438.4796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=NC(=NO4)C5=CSC=C5

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=NC(=NO4)C5=CSC=C5

InChI

InChI=1S/C21H19N5O4S/c1-24-20(28)15-3-2-13(10-16(15)21(24)29)19(27)26-7-5-25(6-8-26)11-17-22-18(23-30-17)14-4-9-31-12-14/h2-4,9-10,12H,5-8,11H2,1H3/p+1