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

Systemtic Name: 5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole CAS Name: 5-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-3-(2-pyrazinyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole Formula: C20H23N6O+ MolecularWeight: 363.43622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O/c1-2-5-17(6-3-1)7-4-10-25-11-13-26(14-12-25)16-19-23-20(24-27-19)18-15-21-8-9-22-18/h1-9,15H,10-14,16H2/p+1/b7-4+