[(1S)-2-azaniumyl-1-[3,4-bis(fluoranyl)phenyl]ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[3,4-bis(fluoranyl)phenyl]ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3,4-difluorophenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3,4-difluorophenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3,4-difluorophenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(3,4-difluorophenyl)ethyl]-butyl-methyl-ammonium Formula: C13H22F2N2+2 MolecularWeight: 244.323986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20F2N2/c1-3-4-7-17(2)13(9-16)10-5-6-11(14)12(15)8-10/h5-6,8,13H,3-4,7,9,16H2,1-2H3/p+2/t13-/m1/s1