2-[[3,4-bis(fluoranyl)phenoxy]methyl]-5-piperazin-4-ium-1-yl-1,3,4-oxadiazole

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenoxy]methyl]-5-piperazin-4-ium-1-yl-1,3,4-oxadiazole Openeye Name: 2-[(3,4-difluorophenoxy)methyl]-5-piperazin-4-ium-1-yl-1,3,4-oxadiazole CAS Name: 2-[(3,4-difluorophenoxy)methyl]-5-(1-piperazin-4-iumyl)-1,3,4-oxadiazole IUPAC Name: 2-[(3,4-difluorophenoxy)methyl]-5-piperazin-4-ium-1-yl-1,3,4-oxadiazole Traditional Name: 2-[(3,4-difluorophenoxy)methyl]-5-piperazin-4-ium-1-yl-1,3,4-oxadiazole Formula: C13H15F2N4O2+ MolecularWeight: 297.280606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NN=C(O2)COC3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NN=C(O2)COC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C13H14F2N4O2/c14-10-2-1-9(7-11(10)15)20-8-12-17-18-13(21-12)19-5-3-16-4-6-19/h1-2,7,16H,3-6,8H2/p+1