(2R)-2-[4-[bis(fluoranyl)methoxy]phenyl]-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-[4-[bis(fluoranyl)methoxy]phenyl]-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-[4-(difluoromethoxy)phenyl]-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-[4-(difluoromethoxy)phenyl]-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-[4-(difluoromethoxy)phenyl]-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-[4-(difluoromethoxy)phenyl]-2-piperazin-4-ium-1-yl-acetonitrile Formula: C13H16F2N3O+ MolecularWeight: 268.282446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C#N)C2=CC=C(C=C2)OC(F)F

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C#N)C2=CC=C(C=C2)OC(F)F

InChI

InChI=1S/C13H15F2N3O/c14-13(15)19-11-3-1-10(2-4-11)12(9-16)18-7-5-17-6-8-18/h1-4,12-13,17H,5-8H2/p+1/t12-/m0/s1