2-(benzotriazol-1-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C19H20N7O2S+ MolecularWeight: 410.4728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C19H19N7O2S/c27-18(13-26-15-5-2-1-4-14(15)21-23-26)25-9-7-24(8-10-25)12-17-20-19(22-28-17)16-6-3-11-29-16/h1-6,11H,7-10,12-13H2/p+1