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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C19H19N4O4S+ MolecularWeight: 399.44356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CSC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H18N4O4S/c24-19(13-1-2-15-16(9-13)26-12-25-15)23-6-4-22(5-7-23)10-17-20-18(21-27-17)14-3-8-28-11-14/h1-3,8-9,11H,4-7,10,12H2/p+1