[(2R)-2-(3-bromanyl-4-fluoranyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(3-bromanyl-4-fluoranyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(3-bromo-4-fluoro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(3-bromo-4-fluorophenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-bromo-4-fluorophenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(3-bromo-4-fluoro-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C14H22BrFN2+2 MolecularWeight: 317.240283

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C[NH3+])C2=CC(=C(C=C2)F)Br

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@@H](C[NH3+])C2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C14H20BrFN2/c1-10-4-2-3-7-18(10)14(9-17)11-5-6-13(16)12(15)8-11/h5-6,8,10,14H,2-4,7,9,17H2,1H3/p+2/t10-,14-/m0/s1