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

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbamothioylamino)propyl-dimethyl-azanium Openeye Name: 3-(1,3-benzodioxol-5-ylcarbamothioylamino)propyl-dimethyl-ammonium CAS Name: 3-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-(1,3-benzodioxol-5-ylcarbamothioylamino)propyl-dimethylazanium Traditional Name: 3-(1,3-benzodioxol-5-ylthiocarbamoylamino)propyl-dimethyl-ammonium Formula: C13H20N3O2S+ MolecularWeight: 282.3818

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H19N3O2S/c1-16(2)7-3-6-14-13(19)15-10-4-5-11-12(8-10)18-9-17-11/h4-5,8H,3,6-7,9H2,1-2H3,(H2,14,15,19)/p+1