3-phenyl-5-[[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-phenyl-5-[[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-phenyl-5-[[4-[[2-(2-thienyl)thiazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-phenyl-5-[[4-[(2-thiophen-2-yl-4-thiazolyl)methyl]-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-phenyl-5-[[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-[[4-[[2-(2-thienyl)thiazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C21H22N5OS2+ MolecularWeight: 424.56228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)CC4=CSC(=N4)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)CC4=CSC(=N4)C5=CC=CS5

InChI

InChI=1S/C21H21N5OS2/c1-2-5-16(6-3-1)20-23-19(27-24-20)14-26-10-8-25(9-11-26)13-17-15-29-21(22-17)18-7-4-12-28-18/h1-7,12,15H,8-11,13-14H2/p+1