[(S)-(2-chloranyl-6-fluoranyl-phenyl)-cyano-methyl]-diethyl-azanium

Systemtic Name: [(S)-(2-chloranyl-6-fluoranyl-phenyl)-cyano-methyl]-diethyl-azanium Openeye Name: [(S)-(2-chloro-6-fluoro-phenyl)-cyano-methyl]-diethyl-ammonium CAS Name: [(S)-(2-chloro-6-fluorophenyl)-cyanomethyl]-diethylammonium IUPAC Name: [(S)-(2-chloro-6-fluorophenyl)-cyanomethyl]-diethylazanium Traditional Name: [(S)-(2-chloro-6-fluoro-phenyl)-cyano-methyl]-diethyl-ammonium Formula: C12H15ClFN2+ MolecularWeight: 241.712303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C#N)C1=C(C=CC=C1Cl)F

Isomeric SMILES

CC[NH+](CC)[C@H](C#N)C1=C(C=CC=C1Cl)F

InChI

InChI=1S/C12H14ClFN2/c1-3-16(4-2)11(8-15)12-9(13)6-5-7-10(12)14/h5-7,11H,3-4H2,1-2H3/p+1/t11-/m1/s1