[(1S)-1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(1,3-benzodioxol-5-yl)-2-oxo-2-(2-thienylmethylamino)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(1,3-benzodioxol-5-yl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(1,3-benzodioxol-5-yl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-dimethylazanium Traditional Name: [(1S)-1-(1,3-benzodioxol-5-yl)-2-keto-2-(2-thenylamino)ethyl]-dimethyl-ammonium Formula: C16H19N2O3S+ MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C1=CC2=C(C=C1)OCO2)C(=O)NCC3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@@H](C1=CC2=C(C=C1)OCO2)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C16H18N2O3S/c1-18(2)15(16(19)17-9-12-4-3-7-22-12)11-5-6-13-14(8-11)21-10-20-13/h3-8,15H,9-10H2,1-2H3,(H,17,19)/p+1/t15-/m0/s1