N-[2-(4-methoxyphenyl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H18N2O3S/c1-21-14-7-5-13(6-8-14)9-10-17-15(19)12-22-16-4-2-3-11-18(16)20/h2-8,11H,9-10,12H2,1H3,(H,17,19)