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2-(1,3-benzodioxol-5-ylmethyl)-1-azoniabicyclo[2.2.2]octane

2-(1,3-benzodioxol-5-ylmethyl)-1-azoniabicyclo[2.2.2]octane

Systemtic Name:2-(1,3-benzodioxol-5-ylmethyl)-1-azoniabicyclo[2.2.2]octane
Openeye Name:2-(1,3-benzodioxol-5-ylmethyl)quinuclidin-1-ium
CAS Name:2-(1,3-benzodioxol-5-ylmethyl)-1-azoniabicyclo[2.2.2]octane
IUPAC Name:2-(1,3-benzodioxol-5-ylmethyl)-1-azoniabicyclo[2.2.2]octane
Traditional Name:2-piperonylquinuclidin-1-ium
Formula: C15H20NO2+
MolecularWeight: 246.3248
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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1CC2CC3=CC4=C(C=C3)OCO4


Isomeric SMILES

C1C[NH+]2CCC1CC2CC3=CC4=C(C=C3)OCO4


InChI

InChI=1S/C15H19NO2/c1-2-14-15(18-10-17-14)9-12(1)8-13-7-11-3-5-16(13)6-4-11/h1-2,9,11,13H,3-8,10H2/p+1


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