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

Systemtic Name: [(3S)-1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(3-bromo-4-fluoro-phenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(3-bromo-4-fluorophenyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(3-bromo-4-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-(3-bromo-4-fluoro-benzyl)piperidin-1-ium-3-yl]methanol Formula: C13H18BrFNO+ MolecularWeight: 303.190523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrFNO/c14-12-6-10(3-4-13(12)15)7-16-5-1-2-11(8-16)9-17/h3-4,6,11,17H,1-2,5,7-9H2/p+1/t11-/m0/s1