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

Systemtic Name: [(1S)-2-azaniumyl-1-[3,4-bis(fluoranyl)phenyl]ethyl]-dipropyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3,4-difluorophenyl)ethyl]-dipropyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3,4-difluorophenyl)ethyl]-dipropylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3,4-difluorophenyl)ethyl]-dipropylazanium Traditional Name: [(1S)-2-ammonio-1-(3,4-difluorophenyl)ethyl]-dipropyl-ammonium Formula: C14H24F2N2+2 MolecularWeight: 258.350566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22F2N2/c1-3-7-18(8-4-2)14(10-17)11-5-6-12(15)13(16)9-11/h5-6,9,14H,3-4,7-8,10,17H2,1-2H3/p+2/t14-/m1/s1