[(1S)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-tert-butyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-tert-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-tert-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2-fluorophenyl)ethyl]-tert-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2-fluorophenyl)ethyl]-tert-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(2-fluorophenyl)ethyl]-tert-butyl-ethyl-ammonium Formula: C14H25FN2+2 MolecularWeight: 240.360103

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C(C[NH3+])C1=CC=CC=C1F)C(C)(C)C

Isomeric SMILES

CC[NH+]([C@H](C[NH3+])C1=CC=CC=C1F)C(C)(C)C

InChI

InChI=1S/C14H23FN2/c1-5-17(14(2,3)4)13(10-16)11-8-6-7-9-12(11)15/h6-9,13H,5,10,16H2,1-4H3/p+2/t13-/m1/s1