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

Systemtic Name: [(1S)-2-azaniumyl-1-[2,4-bis(fluoranyl)phenyl]ethyl]-methyl-propan-2-yl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(2,4-difluorophenyl)ethyl]-isopropyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(2,4-difluorophenyl)ethyl]-methyl-propan-2-ylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(2,4-difluorophenyl)ethyl]-methyl-propan-2-ylazanium Traditional Name: [(1S)-2-ammonio-1-(2,4-difluorophenyl)ethyl]-isopropyl-methyl-ammonium Formula: C12H20F2N2+2 MolecularWeight: 230.297406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18F2N2/c1-8(2)16(3)12(7-15)10-5-4-9(13)6-11(10)14/h4-6,8,12H,7,15H2,1-3H3/p+2/t12-/m1/s1