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

Systemtic Name: 3-chloranyl-3-(3-pentylsulfanylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane Openeye Name: 3-chloro-3-(3-pentylsulfanylpyrazin-2-yl)quinuclidine CAS Name: 3-chloro-3-[3-(pentylthio)-2-pyrazinyl]-1-azabicyclo[2.2.2]octane IUPAC Name: 3-chloro-3-(3-pentylsulfanylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane Traditional Name: 3-[3-(amylthio)pyrazin-2-yl]-3-chloro-quinuclidine Formula: C16H24ClN3S MolecularWeight: 325.89986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC=CN=C1C2(CN3CCC2CC3)Cl

Isomeric SMILES

CCCCCSC1=NC=CN=C1C2(CN3CCC2CC3)Cl

InChI

InChI=1S/C16H24ClN3S/c1-2-3-4-11-21-15-14(18-7-8-19-15)16(17)12-20-9-5-13(16)6-10-20/h7-8,13H,2-6,9-12H2,1H3