[(1S)-2-azaniumyl-1-(2-chloranyl-6-fluoranyl-phenyl)ethyl]-butyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(2-chloranyl-6-fluoranyl-phenyl)ethyl]-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(2-chloro-6-fluoro-phenyl)ethyl]-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2-chloro-6-fluorophenyl)ethyl]-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2-chloro-6-fluorophenyl)ethyl]-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(2-chloro-6-fluoro-phenyl)ethyl]-butyl-ethyl-ammonium Formula: C14H24ClFN2+2 MolecularWeight: 274.805163

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)C(C[NH3+])C1=C(C=CC=C1Cl)F

Isomeric SMILES

CCCC[NH+](CC)[C@H](C[NH3+])C1=C(C=CC=C1Cl)F

InChI

InChI=1S/C14H22ClFN2/c1-3-5-9-18(4-2)13(10-17)14-11(15)7-6-8-12(14)16/h6-8,13H,3-5,9-10,17H2,1-2H3/p+2/t13-/m1/s1