3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)propyl-dimethyl-azanium

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)propyl-dimethyl-azanium Openeye Name: 3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)propyl-dimethyl-ammonium CAS Name: 3-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)propyl-dimethylazanium Traditional Name: dimethyl-[3-(piperonylthiocarbamoylamino)propyl]ammonium Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S/c1-17(2)7-3-6-15-14(20)16-9-11-4-5-12-13(8-11)19-10-18-12/h4-5,8H,3,6-7,9-10H2,1-2H3,(H2,15,16,20)/p+1