[3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [2,2-dimethyl-3-(piperonylthiocarbamoylamino)propyl]-dimethyl-ammonium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S/c1-16(2,10-19(3)4)9-18-15(22)17-8-12-5-6-13-14(7-12)21-11-20-13/h5-7H,8-11H2,1-4H3,(H2,17,18,22)/p+1