N-phenyl-2-pyridin-1-ium-2-ylsulfanyl-ethanamide

Systemtic Name: N-phenyl-2-pyridin-1-ium-2-ylsulfanyl-ethanamide Openeye Name: N-phenyl-2-pyridin-1-ium-2-ylsulfanyl-acetamide CAS Name: N-phenyl-2-(2-pyridin-1-iumylthio)acetamide IUPAC Name: N-phenyl-2-pyridin-1-ium-2-ylsulfanylacetamide Traditional Name: N-phenyl-2-(pyridin-1-ium-2-ylthio)acetamide Formula: C13H13N2OS+ MolecularWeight: 245.32012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=[NH+]2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=[NH+]2

InChI

InChI=1S/C13H12N2OS/c16-12(15-11-6-2-1-3-7-11)10-17-13-8-4-5-9-14-13/h1-9H,10H2,(H,15,16)/p+1