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

Systemtic Name: 3-oxidanidyl-5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazol-3-ium Openeye Name: 5-[[4-[(E)-cinnamyl]piperazin-1-yl]methyl]-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 3-oxido-5-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-2,1,3-benzoxadiazol-3-ium IUPAC Name: 3-oxido-5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazol-3-ium Traditional Name: 6-[[4-[(E)-cinnamyl]piperazino]methyl]-1-oxido-benzofurazan-1-ium Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)CC3=CC4=[N+](ON=C4C=C3)[O-]

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=CC4=[N+](ON=C4C=C3)[O-]

InChI

InChI=1S/C20H22N4O2/c25-24-20-15-18(8-9-19(20)21-26-24)16-23-13-11-22(12-14-23)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2/b7-4+