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1,3-benzodioxol-5-ylmethyl-[(5-ethylfuran-2-yl)methyl]-(pyridin-4-ylmethyl)azanium

1,3-benzodioxol-5-ylmethyl-[(5-ethylfuran-2-yl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name:1,3-benzodioxol-5-ylmethyl-[(5-ethylfuran-2-yl)methyl]-(pyridin-4-ylmethyl)azanium
Openeye Name:1,3-benzodioxol-5-ylmethyl-[(5-ethyl-2-furyl)methyl]-(4-pyridylmethyl)ammonium
CAS Name:1,3-benzodioxol-5-ylmethyl-[(5-ethyl-2-furanyl)methyl]-(pyridin-4-ylmethyl)ammonium
IUPAC Name:1,3-benzodioxol-5-ylmethyl-[(5-ethylfuran-2-yl)methyl]-(pyridin-4-ylmethyl)azanium
Traditional Name:(5-ethyl-2-furyl)methyl-piperonyl-(4-pyridylmethyl)ammonium
Formula: C21H23N2O3+
MolecularWeight: 351.41892
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4


Isomeric SMILES

CCC1=CC=C(O1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4


InChI

InChI=1S/C21H22N2O3/c1-2-18-4-5-19(26-18)14-23(12-16-7-9-22-10-8-16)13-17-3-6-20-21(11-17)25-15-24-20/h3-11H,2,12-15H2,1H3/p+1


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