2-(1,3-benzodioxol-5-ylcarbamothioylamino)ethyl-dimethyl-azanium

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbamothioylamino)ethyl-dimethyl-azanium Openeye Name: 2-(1,3-benzodioxol-5-ylcarbamothioylamino)ethyl-dimethyl-ammonium CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-(1,3-benzodioxol-5-ylcarbamothioylamino)ethyl-dimethylazanium Traditional Name: 2-(1,3-benzodioxol-5-ylthiocarbamoylamino)ethyl-dimethyl-ammonium Formula: C12H18N3O2S+ MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S/c1-15(2)6-5-13-12(18)14-9-3-4-10-11(7-9)17-8-16-10/h3-4,7H,5-6,8H2,1-2H3,(H2,13,14,18)/p+1