(3S)-1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[(3-bromo-4-fluoro-phenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[(3-bromo-4-fluorophenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[(3-bromo-4-fluorophenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-(3-bromo-4-fluoro-benzyl)piperidin-1-ium-3-ol Formula: C12H16BrFNO+ MolecularWeight: 289.163943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrFNO/c13-11-6-9(3-4-12(11)14)7-15-5-1-2-10(16)8-15/h3-4,6,10,16H,1-2,5,7-8H2/p+1/t10-/m0/s1