3-[1,3-benzodioxol-5-ylmethylcarbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1,3-benzodioxol-5-ylmethylcarbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzodioxol-5-ylmethylcarbamothioyl-[3-(dimethylammonio)propyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-[3-(dimethylammonio)propyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzodioxol-5-ylmethylcarbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium Traditional Name: 3-[3-(dimethylammonio)propyl-(piperonylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C19H34N4O2S+2 MolecularWeight: 382.56386

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C19H32N4O2S/c1-21(2)9-5-11-23(12-6-10-22(3)4)19(26)20-14-16-7-8-17-18(13-16)25-15-24-17/h7-8,13H,5-6,9-12,14-15H2,1-4H3,(H,20,26)/p+2