[(2R)-2-(5-bromanyl-2-fluoranyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(5-bromanyl-2-fluoranyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(5-bromo-2-fluoro-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(5-bromo-2-fluorophenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(5-bromo-2-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(5-bromo-2-fluoro-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C14H22BrFN2+2 MolecularWeight: 317.240283

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C[NH3+])C2=C(C=CC(=C2)Br)F

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C[NH3+])C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C14H20BrFN2/c1-10-3-2-6-18(9-10)14(8-17)12-7-11(15)4-5-13(12)16/h4-5,7,10,14H,2-3,6,8-9,17H2,1H3/p+2/t10-,14-/m0/s1