3-[1,3-benzodioxol-5-ylmethylcarbamothioyl(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethylcarbamothioyl(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzodioxol-5-ylmethylcarbamothioyl(2-thienylmethyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzodioxol-5-ylmethylcarbamothioyl(thiophen-2-ylmethyl)amino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[piperonylthiocarbamoyl(2-thenyl)amino]propyl]ammonium Formula: C19H26N3O2S2+ MolecularWeight: 392.55864

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC=CS1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC=CS1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H25N3O2S2/c1-21(2)8-4-9-22(13-16-5-3-10-26-16)19(25)20-12-15-6-7-17-18(11-15)24-14-23-17/h3,5-7,10-11H,4,8-9,12-14H2,1-2H3,(H,20,25)/p+1