N-[(3-chlorophenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3-chlorobenzyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H13ClN2O2S MolecularWeight: 308.78322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NCC2=CC(=CC=C2)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NCC2=CC(=CC=C2)Cl)[O-]

InChI

InChI=1S/C14H13ClN2O2S/c15-12-5-3-4-11(8-12)9-16-13(18)10-20-14-6-1-2-7-17(14)19/h1-8H,9-10H2,(H,16,18)