[1-[(1,3-benzodioxol-5-ylmethylcarbamothioylamino)methyl]cyclohexyl]-dimethyl-azanium

Systemtic Name: [1-[(1,3-benzodioxol-5-ylmethylcarbamothioylamino)methyl]cyclohexyl]-dimethyl-azanium Openeye Name: [1-[(1,3-benzodioxol-5-ylmethylcarbamothioylamino)methyl]cyclohexyl]-dimethyl-ammonium CAS Name: [1-[[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]methyl]cyclohexyl]-dimethylammonium IUPAC Name: [1-[(1,3-benzodioxol-5-ylmethylcarbamothioylamino)methyl]cyclohexyl]-dimethylazanium Traditional Name: dimethyl-[1-[(piperonylthiocarbamoylamino)methyl]cyclohexyl]ammonium Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)CNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](C)C1(CCCCC1)CNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H27N3O2S/c1-21(2)18(8-4-3-5-9-18)12-20-17(24)19-11-14-6-7-15-16(10-14)23-13-22-15/h6-7,10H,3-5,8-9,11-13H2,1-2H3,(H2,19,20,24)/p+1