[(1S)-2-(2,3-dihydro-1-benzofuran-5-ylcarbonylamino)-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-(2,3-dihydro-1-benzofuran-5-ylcarbonylamino)-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-(2,3-dihydrobenzofuran-5-carbonylamino)-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2,3-dihydrobenzofuran-5-yl(oxo)methyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-(coumaran-5-carbonylamino)-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C17H21N2O2S+ MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC2=C(C=C1)OCC2)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC2=C(C=C1)OCC2)C3=CSC=C3

InChI

InChI=1S/C17H20N2O2S/c1-19(2)15(14-6-8-22-11-14)10-18-17(20)13-3-4-16-12(9-13)5-7-21-16/h3-4,6,8-9,11,15H,5,7,10H2,1-2H3,(H,18,20)/p+1/t15-/m1/s1