1,3-benzodioxol-5-ylmethyl(3-methylsulfanylpropyl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl(3-methylsulfanylpropyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl(3-methylsulfanylpropyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[3-(methylthio)propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl(3-methylsulfanylpropyl)azanium Traditional Name: 3-(methylthio)propyl-piperonyl-ammonium Formula: C12H18NO2S+ MolecularWeight: 240.34182

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH2+]CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CSCCC[NH2+]CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H17NO2S/c1-16-6-2-5-13-8-10-3-4-11-12(7-10)15-9-14-11/h3-4,7,13H,2,5-6,8-9H2,1H3/p+1