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

Systemtic Name: [(1S)-2-azaniumyl-1-(2-chloranyl-6-fluoranyl-phenyl)ethyl]-bis(2-methylpropyl)azanium Openeye Name: [(1S)-2-azaniumyl-1-(2-chloro-6-fluoro-phenyl)ethyl]-diisobutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2-chloro-6-fluorophenyl)ethyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2-chloro-6-fluorophenyl)ethyl]-bis(2-methylpropyl)azanium Traditional Name: [(1S)-2-ammonio-1-(2-chloro-6-fluoro-phenyl)ethyl]-diisobutyl-ammonium Formula: C16H28ClFN2+2 MolecularWeight: 302.858323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClFN2/c1-11(2)9-20(10-12(3)4)15(8-19)16-13(17)6-5-7-14(16)18/h5-7,11-12,15H,8-10,19H2,1-4H3/p+2/t15-/m1/s1