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

Systemtic Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-phenylethyl]-dimethylazanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-(piperonylthiocarbamoylamino)ethyl]ammonium Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2S/c1-22(2)16(15-6-4-3-5-7-15)12-21-19(25)20-11-14-8-9-17-18(10-14)24-13-23-17/h3-10,16H,11-13H2,1-2H3,(H2,20,21,25)/p+1/t16-/m1/s1