[(3R)-1-[(2-bromanyl-4-fluoranyl-phenyl)methyl]piperidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3R)-1-[(2-bromanyl-4-fluoranyl-phenyl)methyl]piperidin-1-ium-3-yl]methylazanium Openeye Name: [(3R)-1-[(2-bromo-4-fluoro-phenyl)methyl]piperidin-1-ium-3-yl]methylammonium CAS Name: [(3R)-1-[(2-bromo-4-fluorophenyl)methyl]-3-piperidin-1-iumyl]methylammonium IUPAC Name: [(3R)-1-[(2-bromo-4-fluorophenyl)methyl]piperidin-1-ium-3-yl]methylazanium Traditional Name: [(3R)-1-(2-bromo-4-fluoro-benzyl)piperidin-1-ium-3-yl]methylammonium Formula: C13H20BrFN2+2 MolecularWeight: 303.213703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrFN2/c14-13-6-12(15)4-3-11(13)9-17-5-1-2-10(7-16)8-17/h3-4,6,10H,1-2,5,7-9,16H2/p+2/t10-/m1/s1