[(1S)-2-azanyl-1-(1,3-benzodioxol-5-yl)-2-sulfanylidene-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-azanyl-1-(1,3-benzodioxol-5-yl)-2-sulfanylidene-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-amino-1-(1,3-benzodioxol-5-yl)-2-thioxo-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-amino-1-(1,3-benzodioxol-5-yl)-2-sulfanylideneethyl]-diethylammonium IUPAC Name: [(1S)-2-amino-1-(1,3-benzodioxol-5-yl)-2-sulfanylideneethyl]-diethylazanium Traditional Name: [(1S)-2-amino-1-(1,3-benzodioxol-5-yl)-2-thioxo-ethyl]-diethyl-ammonium Formula: C13H19N2O2S+ MolecularWeight: 267.36716

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C1=CC2=C(C=C1)OCO2)C(=S)N

Isomeric SMILES

CC[NH+](CC)[C@@H](C1=CC2=C(C=C1)OCO2)C(=S)N

InChI

InChI=1S/C13H18N2O2S/c1-3-15(4-2)12(13(14)18)9-5-6-10-11(7-9)17-8-16-10/h5-7,12H,3-4,8H2,1-2H3,(H2,14,18)/p+1/t12-/m0/s1