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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C[NH3+])C2=CC(=C(C=C2)F)Br

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C[NH3+])C2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C14H20BrFN2/c1-10-4-6-18(7-5-10)14(9-17)11-2-3-13(16)12(15)8-11/h2-3,8,10,14H,4-7,9,17H2,1H3/p+2/t14-/m1/s1