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1-(3-isothiocyanatopropyl)-1-azoniabicyclo[2.2.2]octane

1-(3-isothiocyanatopropyl)-1-azoniabicyclo[2.2.2]octane

Systemtic Name:1-(3-isothiocyanatopropyl)-1-azoniabicyclo[2.2.2]octane
Openeye Name:1-(3-isothiocyanatopropyl)quinuclidin-1-ium
CAS Name:1-(3-isothiocyanatopropyl)-1-azoniabicyclo[2.2.2]octane
IUPAC Name:1-(3-isothiocyanatopropyl)-1-azoniabicyclo[2.2.2]octane
Traditional Name:1-(3-isothiocyanatopropyl)quinuclidin-1-ium
Formula: C11H19N2S+
MolecularWeight: 211.34696
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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2)CCCN=C=S


Isomeric SMILES

C1C[N+]2(CCC1CC2)CCCN=C=S


InChI

InChI=1S/C11H19N2S/c14-10-12-5-1-6-13-7-2-11(3-8-13)4-9-13/h11H,1-9H2/q+1


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