2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)ethyl-dimethyl-azanium

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)ethyl-dimethyl-azanium Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)ethyl-dimethyl-ammonium CAS Name: 2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)ethyl-dimethylazanium Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)ethyl-dimethyl-ammonium Formula: C13H20N3O2S+ MolecularWeight: 282.3818

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C[NH+](C)CCNC(=S)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C13H19N3O2S/c1-16(2)6-5-14-13(19)15-10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9H,5-8H2,1-2H3,(H2,14,15,19)/p+1