1,3-bis(oxidanyl)-1-(3-phenylsulfanyl-1-azabicyclo[2.2.2]octan-3-yl)propan-2-one

Systemtic Name: 1,3-bis(oxidanyl)-1-(3-phenylsulfanyl-1-azabicyclo[2.2.2]octan-3-yl)propan-2-one Openeye Name: 1,3-dihydroxy-1-(3-phenylsulfanylquinuclidin-3-yl)propan-2-one CAS Name: 1,3-dihydroxy-1-[3-(phenylthio)-1-azabicyclo[2.2.2]octan-3-yl]-2-propanone IUPAC Name: 1,3-dihydroxy-1-(3-phenylsulfanyl-1-azabicyclo[2.2.2]octan-3-yl)propan-2-one Traditional Name: 1,3-dihydroxy-1-[3-(phenylthio)quinuclidin-3-yl]acetone Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)(C(C(=O)CO)O)SC3=CC=CC=C3

Isomeric SMILES

C1CN2CCC1C(C2)(C(C(=O)CO)O)SC3=CC=CC=C3

InChI

InChI=1S/C16H21NO3S/c18-10-14(19)15(20)16(21-13-4-2-1-3-5-13)11-17-8-6-12(16)7-9-17/h1-5,12,15,18,20H,6-11H2