2-(phenylsulfanylmethyl)-1-azabicyclo[2.2.2]octan-3-one

Systemtic Name: 2-(phenylsulfanylmethyl)-1-azabicyclo[2.2.2]octan-3-one Openeye Name: 2-(phenylsulfanylmethyl)quinuclidin-3-one CAS Name: 2-[(phenylthio)methyl]-1-azabicyclo[2.2.2]octan-3-one IUPAC Name: 2-(phenylsulfanylmethyl)-1-azabicyclo[2.2.2]octan-3-one Traditional Name: 2-[(phenylthio)methyl]quinuclidin-3-one Formula: C14H17NOS MolecularWeight: 247.35588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(=O)C2CSC3=CC=CC=C3

Isomeric SMILES

C1CN2CCC1C(=O)C2CSC3=CC=CC=C3

InChI

InChI=1S/C14H17NOS/c16-14-11-6-8-15(9-7-11)13(14)10-17-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2