(2R)-2-[3,4-bis(fluoranyl)phenyl]azepan-1-ium

Systemtic Name: (2R)-2-[3,4-bis(fluoranyl)phenyl]azepan-1-ium Openeye Name: (2R)-2-(3,4-difluorophenyl)azepan-1-ium CAS Name: (2R)-2-(3,4-difluorophenyl)azepan-1-ium IUPAC Name: (2R)-2-(3,4-difluorophenyl)azepan-1-ium Traditional Name: (2R)-2-(3,4-difluorophenyl)azepan-1-ium Formula: C12H16F2N+ MolecularWeight: 212.258946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC([NH2+]CC1)C2=CC(=C(C=C2)F)F

Isomeric SMILES

C1CC[C@@H]([NH2+]CC1)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C12H15F2N/c13-10-6-5-9(8-11(10)14)12-4-2-1-3-7-15-12/h5-6,8,12,15H,1-4,7H2/p+1/t12-/m1/s1