3-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylcarbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CCN(C[C@H]1COC2=CC=CC=C2O1)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C17H27N3O2S/c1-4-20(17(23)18-10-7-11-19(2)3)12-14-13-21-15-8-5-6-9-16(15)22-14/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H,18,23)/p+1/t14-/m0/s1