[(2R)-1-[(5-bromanyl-2-fluoranyl-phenyl)methyl]pyrrolidin-1-ium-2-yl]methylazanium

Systemtic Name: [(2R)-1-[(5-bromanyl-2-fluoranyl-phenyl)methyl]pyrrolidin-1-ium-2-yl]methylazanium Openeye Name: [(2R)-1-[(5-bromo-2-fluoro-phenyl)methyl]pyrrolidin-1-ium-2-yl]methylammonium CAS Name: [(2R)-1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-1-iumyl]methylammonium IUPAC Name: [(2R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-1-ium-2-yl]methylazanium Traditional Name: [(2R)-1-(5-bromo-2-fluoro-benzyl)pyrrolidin-1-ium-2-yl]methylammonium Formula: C12H18BrFN2+2 MolecularWeight: 289.187123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=C(C=CC(=C2)Br)F)C[NH3+]

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=C(C=CC(=C2)Br)F)C[NH3+]

InChI

InChI=1S/C12H16BrFN2/c13-10-3-4-12(14)9(6-10)8-16-5-1-2-11(16)7-15/h3-4,6,11H,1-2,5,7-8,15H2/p+2/t11-/m1/s1