N-(3-ethanoylphenyl)-2-pyridin-1-ium-2-ylsulfanyl-ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-pyridin-1-ium-2-ylsulfanyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-pyridin-1-ium-2-ylsulfanyl-acetamide CAS Name: N-(3-acetylphenyl)-2-(2-pyridin-1-iumylthio)acetamide IUPAC Name: N-(3-acetylphenyl)-2-pyridin-1-ium-2-ylsulfanylacetamide Traditional Name: N-(3-acetylphenyl)-2-(pyridin-1-ium-2-ylthio)acetamide Formula: C15H15N2O2S+ MolecularWeight: 287.3568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O2S/c1-11(18)12-5-4-6-13(9-12)17-14(19)10-20-15-7-2-3-8-16-15/h2-9H,10H2,1H3,(H,17,19)/p+1