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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClFN2/c1-3-5-10-20(11-6-4-2)15(12-19)16-13(17)8-7-9-14(16)18/h7-9,15H,3-6,10-12,19H2,1-2H3/p+2/t15-/m1/s1