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

Systemtic Name: 3-chloranyl-3-(3-methylsulfanylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane Openeye Name: 3-chloro-3-(3-methylsulfanylpyrazin-2-yl)quinuclidine CAS Name: 3-chloro-3-[3-(methylthio)-2-pyrazinyl]-1-azabicyclo[2.2.2]octane IUPAC Name: 3-chloro-3-(3-methylsulfanylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane Traditional Name: 3-chloro-3-[3-(methylthio)pyrazin-2-yl]quinuclidine Formula: C12H16ClN3S MolecularWeight: 269.79354

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CN=C1C2(CN3CCC2CC3)Cl

Isomeric SMILES

CSC1=NC=CN=C1C2(CN3CCC2CC3)Cl

InChI

InChI=1S/C12H16ClN3S/c1-17-11-10(14-4-5-15-11)12(13)8-16-6-2-9(12)3-7-16/h4-5,9H,2-3,6-8H2,1H3