(2R)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(2-chloro-6-fluoro-phenyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(2-chloro-6-fluorophenyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(2-chloro-6-fluorophenyl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-(2-chloro-6-fluoro-phenyl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C12H14ClFN3+ MolecularWeight: 254.711063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C#N)C2=C(C=CC=C2Cl)F

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C#N)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C12H13ClFN3/c13-9-2-1-3-10(14)12(9)11(8-15)17-6-4-16-5-7-17/h1-3,11,16H,4-7H2/p+1/t11-/m0/s1