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

Systemtic Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(2-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(2-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-1-(2-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(2-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-methoxyphenyl)-2-(piperonylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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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=C3OC

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3OC

InChI

InChI=1S/C20H25N3O3S/c1-23(2)16(15-6-4-5-7-17(15)24-3)12-22-20(27)21-11-14-8-9-18-19(10-14)26-13-25-18/h4-10,16H,11-13H2,1-3H3,(H2,21,22,27)/p+1/t16-/m1/s1