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

Systemtic Name: (2R)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-piperidin-1-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(2-chloro-6-fluoro-phenyl)-2-piperidin-1-ium-1-yl-acetonitrile CAS Name: (2R)-2-(2-chloro-6-fluorophenyl)-2-(1-piperidin-1-iumyl)acetonitrile IUPAC Name: (2R)-2-(2-chloro-6-fluorophenyl)-2-piperidin-1-ium-1-ylacetonitrile Traditional Name: (2R)-2-(2-chloro-6-fluoro-phenyl)-2-piperidin-1-ium-1-yl-acetonitrile Formula: C13H15ClFN2+ MolecularWeight: 253.723003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C#N)C2=C(C=CC=C2Cl)F

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C#N)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H14ClFN2/c14-10-5-4-6-11(15)13(10)12(9-16)17-7-2-1-3-8-17/h4-6,12H,1-3,7-8H2/p+1/t12-/m0/s1