2-(1,3-benzodioxol-5-yl)ethyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: homopiperonyl-[4-(methylthio)benzyl]ammonium Formula: C17H20NO2S+ MolecularWeight: 302.4112

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH2+]CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH2+]CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19NO2S/c1-21-15-5-2-14(3-6-15)11-18-9-8-13-4-7-16-17(10-13)20-12-19-16/h2-7,10,18H,8-9,11-12H2,1H3/p+1