3-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]methylsulfanyl]-5-fluoranyl-1H-indole

Systemtic Name: 3-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]methylsulfanyl]-5-fluoranyl-1H-indole Openeye Name: 5-fluoro-3-[[(3S)-quinuclidin-3-yl]methylsulfanyl]-1H-indole CAS Name: 3-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]methylthio]-5-fluoro-1H-indole IUPAC Name: 3-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]methylsulfanyl]-5-fluoro-1H-indole Traditional Name: 5-fluoro-3-[[(3S)-quinuclidin-3-yl]methylthio]-1H-indole Formula: C16H19FN2S MolecularWeight: 290.398863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)CSC3=CNC4=C3C=C(C=C4)F

Isomeric SMILES

C1CN2CCC1[C@@H](C2)CSC3=CNC4=C3C=C(C=C4)F

InChI

InChI=1S/C16H19FN2S/c17-13-1-2-15-14(7-13)16(8-18-15)20-10-12-9-19-5-3-11(12)4-6-19/h1-2,7-8,11-12,18H,3-6,9-10H2/t12-/m0/s1