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1,3-benzodioxol-5-ylmethyl(3-pyrimidin-2-ylsulfanylpropyl)azanium

1,3-benzodioxol-5-ylmethyl(3-pyrimidin-2-ylsulfanylpropyl)azanium

Systemtic Name:1,3-benzodioxol-5-ylmethyl(3-pyrimidin-2-ylsulfanylpropyl)azanium
Openeye Name:1,3-benzodioxol-5-ylmethyl(3-pyrimidin-2-ylsulfanylpropyl)ammonium
CAS Name:1,3-benzodioxol-5-ylmethyl-[3-(2-pyrimidinylthio)propyl]ammonium
IUPAC Name:1,3-benzodioxol-5-ylmethyl(3-pyrimidin-2-ylsulfanylpropyl)azanium
Traditional Name:piperonyl-[3-(2-pyrimidylthio)propyl]ammonium
Formula: C15H18N3O2S+
MolecularWeight: 304.38732
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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCCSC3=NC=CC=N3


Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCCSC3=NC=CC=N3


InChI

InChI=1S/C15H17N3O2S/c1-6-17-15(18-7-1)21-8-2-5-16-10-12-3-4-13-14(9-12)20-11-19-13/h1,3-4,6-7,9,16H,2,5,8,10-11H2/p+1


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