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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2S/c1-22(2)12-16(15-6-4-3-5-7-15)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