[(2R)-1-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1R)-1-[(1,3-benzodioxol-5-ylmethylcarbamothioylamino)methyl]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2R)-1-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1R)-1-benzyl-2-(piperonylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C20H26N3O2S+ MolecularWeight: 372.50434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](C)[C@H](CC1=CC=CC=C1)CNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H25N3O2S/c1-23(2)17(10-15-6-4-3-5-7-15)13-22-20(26)21-12-16-8-9-18-19(11-16)25-14-24-18/h3-9,11,17H,10,12-14H2,1-2H3,(H2,21,22,26)/p+1/t17-/m1/s1