[(1S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(2-chlorophenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(2-chlorophenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(2-chlorophenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-1-(2-chlorophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(2-chlorophenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-chlorophenyl)-2-(piperonylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C19H23ClN3O2S+ MolecularWeight: 392.92282

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3Cl

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H22ClN3O2S/c1-23(2)16(14-5-3-4-6-15(14)20)11-22-19(26)21-10-13-7-8-17-18(9-13)25-12-24-17/h3-9,16H,10-12H2,1-2H3,(H2,21,22,26)/p+1/t16-/m1/s1