5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C20H22N4OS/c1-2-6-17(7-3-1)8-4-10-23-11-13-24(14-12-23)16-19-21-20(22-25-19)18-9-5-15-26-18/h1-9,15H,10-14,16H2/p+1/b8-4+