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1,3-benzodioxol-5-ylmethyl-[3-(methylazaniumyl)propyl]azanium dichloride

1,3-benzodioxol-5-ylmethyl-[3-(methylazaniumyl)propyl]azanium dichloride

Systemtic Name:1,3-benzodioxol-5-ylmethyl-[3-(methylazaniumyl)propyl]azanium dichloride
Openeye Name:1,3-benzodioxol-5-ylmethyl-[3-(methylammonio)propyl]ammonium dichloride
CAS Name:1,3-benzodioxol-5-ylmethyl-[3-(methylammonio)propyl]ammonium dichloride
IUPAC Name:1,3-benzodioxol-5-ylmethyl-[3-(methylazaniumyl)propyl]azanium dichloride
Traditional Name:methyl-[3-(piperonylammonio)propyl]ammonium dichloride
Formula: C12H20Cl2N2O2
MolecularWeight: 295.2054
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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC[NH2+]CC1=CC2=C(C=C1)OCO2.[Cl-].[Cl-]


Isomeric SMILES

C[NH2+]CCC[NH2+]CC1=CC2=C(C=C1)OCO2.[Cl-].[Cl-]


InChI

InChI=1S/C12H18N2O2.2ClH/c1-13-5-2-6-14-8-10-3-4-11-12(7-10)16-9-15-11;;/h3-4,7,13-14H,2,5-6,8-9H2,1H3;2*1H


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