[(1S)-2-azaniumyl-1-[2,4-bis(fluoranyl)phenyl]ethyl]-dibutyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[2,4-bis(fluoranyl)phenyl]ethyl]-dibutyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(2,4-difluorophenyl)ethyl]-dibutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2,4-difluorophenyl)ethyl]-dibutylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2,4-difluorophenyl)ethyl]-dibutylazanium Traditional Name: [(1S)-2-ammonio-1-(2,4-difluorophenyl)ethyl]-dibutyl-ammonium Formula: C16H28F2N2+2 MolecularWeight: 286.403726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26F2N2/c1-3-5-9-20(10-6-4-2)16(12-19)14-8-7-13(17)11-15(14)18/h7-8,11,16H,3-6,9-10,12,19H2,1-2H3/p+2/t16-/m1/s1