N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H20N2O4S MolecularWeight: 348.4167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H20N2O4S/c1-12(14-10-13(22-2)7-8-15(14)23-3)18-16(20)11-24-17-6-4-5-9-19(17)21/h4-10,12H,11H2,1-3H3,(H,18,20)