N-(4-methylphenyl)-2-pyridin-1-ium-2-ylsulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-pyridin-1-ium-2-ylsulfanyl-ethanamide Openeye Name: N-(p-tolyl)-2-pyridin-1-ium-2-ylsulfanyl-acetamide CAS Name: N-(4-methylphenyl)-2-(2-pyridin-1-iumylthio)acetamide IUPAC Name: N-(4-methylphenyl)-2-pyridin-1-ium-2-ylsulfanylacetamide Traditional Name: N-(p-tolyl)-2-(pyridin-1-ium-2-ylthio)acetamide Formula: C14H15N2OS+ MolecularWeight: 259.3467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=[NH+]2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=[NH+]2

InChI

InChI=1S/C14H14N2OS/c1-11-5-7-12(8-6-11)16-13(17)10-18-14-4-2-3-9-15-14/h2-9H,10H2,1H3,(H,16,17)/p+1