(2R)-2-[3,4-bis(fluoranyl)phenyl]-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-[3,4-bis(fluoranyl)phenyl]-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(3,4-difluorophenyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(3,4-difluorophenyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(3,4-difluorophenyl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-(3,4-difluorophenyl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C12H14F2N3+ MolecularWeight: 238.256466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2N3/c13-10-2-1-9(7-11(10)14)12(8-15)17-5-3-16-4-6-17/h1-2,7,12,16H,3-6H2/p+1/t12-/m0/s1