N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-methylsulfanyl-ethanamide

Systemtic Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-methylsulfanyl-ethanamide Openeye Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-methylsulfanyl-acetamide CAS Name: N-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-2-(methylthio)acetamide IUPAC Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-methylsulfanylacetamide Traditional Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-(methylthio)acetamide Formula: C16H26N3OS+ MolecularWeight: 308.46214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NCC1=C([NH+]=CC=C1)N2CCCCCCC2

Isomeric SMILES

CSCC(=O)NCC1=C([NH+]=CC=C1)N2CCCCCCC2

InChI

InChI=1S/C16H25N3OS/c1-21-13-15(20)18-12-14-8-7-9-17-16(14)19-10-5-3-2-4-6-11-19/h7-9H,2-6,10-13H2,1H3,(H,18,20)/p+1