[(1R)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(4-ethylphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(4-ethylphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(4-ethylphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-1-(4-ethylphenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(4-ethylphenyl)ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-ethylphenyl)-2-(piperonylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=S)NCC2=CC3=C(C=C2)OCO3)[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC(=S)NCC2=CC3=C(C=C2)OCO3)[NH+](C)C

InChI

InChI=1S/C21H27N3O2S/c1-4-15-5-8-17(9-6-15)18(24(2)3)13-23-21(27)22-12-16-7-10-19-20(11-16)26-14-25-19/h5-11,18H,4,12-14H2,1-3H3,(H2,22,23,27)/p+1/t18-/m0/s1