1,3-benzodioxol-5-ylmethyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [4-(methylthio)benzyl]-piperonyl-ammonium Formula: C16H18NO2S+ MolecularWeight: 288.38462

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17NO2S/c1-20-14-5-2-12(3-6-14)9-17-10-13-4-7-15-16(8-13)19-11-18-15/h2-8,17H,9-11H2,1H3/p+1