N-(3-oxidanylpyridin-1-ium-2-yl)-2-phenethylsulfanyl-ethanamide

Systemtic Name: N-(3-oxidanylpyridin-1-ium-2-yl)-2-phenethylsulfanyl-ethanamide Openeye Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-phenethylsulfanyl-acetamide CAS Name: N-(3-hydroxy-2-pyridin-1-iumyl)-2-(phenethylthio)acetamide IUPAC Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-phenethylsulfanylacetamide Traditional Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-(phenethylthio)acetamide Formula: C15H17N2O2S+ MolecularWeight: 289.37268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSCC(=O)NC2=C(C=CC=[NH+]2)O

Isomeric SMILES

C1=CC=C(C=C1)CCSCC(=O)NC2=C(C=CC=[NH+]2)O

InChI

InChI=1S/C15H16N2O2S/c18-13-7-4-9-16-15(13)17-14(19)11-20-10-8-12-5-2-1-3-6-12/h1-7,9,18H,8,10-11H2,(H,16,17,19)/p+1