5-fluoranyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 5-fluoranyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 5-fluoro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 5-fluoro-6-[4-(3-methoxyphenyl)-1-piperazinyl]-3-oxido-2,1,3-benzoxadiazol-3-ium IUPAC Name: 5-fluoro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 6-fluoro-5-[4-(3-methoxyphenyl)piperazino]-1-oxido-benzofurazan-1-ium Formula: C17H17FN4O3 MolecularWeight: 344.340283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C3=CC4=NO[N+](=C4C=C3F)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=CC4=NO[N+](=C4C=C3F)[O-]

InChI

InChI=1S/C17H17FN4O3/c1-24-13-4-2-3-12(9-13)20-5-7-21(8-6-20)16-11-15-17(10-14(16)18)22(23)25-19-15/h2-4,9-11H,5-8H2,1H3