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

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

Systemtic Name:1,3-benzodioxol-5-ylmethyl-methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl]azanium
Openeye Name:1,3-benzodioxol-5-ylmethyl-methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxo-ethyl]ammonium
CAS Name:1,3-benzodioxol-5-ylmethyl-methyl-[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-2-oxoethyl]ammonium
IUPAC Name:1,3-benzodioxol-5-ylmethyl-methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]azanium
Traditional Name:[2-keto-2-[methyl-[4-(methylthio)benzyl]amino]ethyl]-methyl-piperonyl-ammonium
Formula: C20H25N2O3S+
MolecularWeight: 373.4891
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N(C)CC3=CC=C(C=C3)SC


Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)N(C)CC3=CC=C(C=C3)SC


InChI

InChI=1S/C20H24N2O3S/c1-21(11-16-6-9-18-19(10-16)25-14-24-18)13-20(23)22(2)12-15-4-7-17(26-3)8-5-15/h4-10H,11-14H2,1-3H3/p+1


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