3-(3-hexylsulfanylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane

Systemtic Name: 3-(3-hexylsulfanylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane Openeye Name: 3-(3-hexylsulfanylpyrazin-2-yl)quinuclidine CAS Name: 3-[3-(hexylthio)-2-pyrazinyl]-1-azabicyclo[2.2.2]octane IUPAC Name: 3-(3-hexylsulfanylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane Traditional Name: 3-[3-(hexylthio)pyrazin-2-yl]quinuclidine Formula: C17H27N3S MolecularWeight: 305.48138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC=CN=C1C2CN3CCC2CC3

Isomeric SMILES

CCCCCCSC1=NC=CN=C1C2CN3CCC2CC3

InChI

InChI=1S/C17H27N3S/c1-2-3-4-5-12-21-17-16(18-8-9-19-17)15-13-20-10-6-14(15)7-11-20/h8-9,14-15H,2-7,10-13H2,1H3