3-methylsulfanyl-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide

Systemtic Name: 3-methylsulfanyl-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: 3-methylsulfanyl-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]propanamide CAS Name: 3-(methylthio)-N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-methylsulfanyl-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: 3-(methylthio)-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]propionamide Formula: C14H22N3O2S+ MolecularWeight: 296.40838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NCC1=C([NH+]=CC=C1)N2CCOCC2

Isomeric SMILES

CSCCC(=O)NCC1=C([NH+]=CC=C1)N2CCOCC2

InChI

InChI=1S/C14H21N3O2S/c1-20-10-4-13(18)16-11-12-3-2-5-15-14(12)17-6-8-19-9-7-17/h2-3,5H,4,6-11H2,1H3,(H,16,18)/p+1