[(1R)-2-(1,3-benzodioxol-5-ylcarbonylamino)-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-(1,3-benzodioxol-5-ylcarbonylamino)-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-(1,3-benzodioxole-5-carbonylamino)-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-(1,3-benzodioxole-5-carbonylamino)-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: dimethyl-[(1R)-2-(piperonyloylamino)-1-(2-thienyl)ethyl]ammonium Formula: C16H19N2O3S+ MolecularWeight: 319.39866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=CS3

InChI

InChI=1S/C16H18N2O3S/c1-18(2)12(15-4-3-7-22-15)9-17-16(19)11-5-6-13-14(8-11)21-10-20-13/h3-8,12H,9-10H2,1-2H3,(H,17,19)/p+1/t12-/m1/s1