2-[1,3-benzodioxol-5-ylmethylcarbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(benzyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(benzyl)amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl(piperonylthiocarbamoyl)amino]ethyl-dimethyl-ammonium Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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