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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,3,4-oxadiazole CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole Traditional Name: 2-[(4-piperonylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,3,4-oxadiazole Formula: C19H21N4O3S+ MolecularWeight: 385.46004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=C(O2)C3=CC=CS3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=C(O2)C3=CC=CS3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H20N4O3S/c1-2-17(27-9-1)19-21-20-18(26-19)12-23-7-5-22(6-8-23)11-14-3-4-15-16(10-14)25-13-24-15/h1-4,9-10H,5-8,11-13H2/p+1