2-[(3-methylphenyl)methylsulfanyl]-N-(3-oxidanylpyridin-1-ium-2-yl)ethanamide

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-N-(3-oxidanylpyridin-1-ium-2-yl)ethanamide Openeye Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-(m-tolylmethylsulfanyl)acetamide CAS Name: N-(3-hydroxy-2-pyridin-1-iumyl)-2-[(3-methylphenyl)methylthio]acetamide IUPAC Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide Traditional Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-[(3-methylbenzyl)thio]acetamide Formula: C15H17N2O2S+ MolecularWeight: 289.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=C(C=CC=[NH+]2)O

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=C(C=CC=[NH+]2)O

InChI

InChI=1S/C15H16N2O2S/c1-11-4-2-5-12(8-11)9-20-10-14(19)17-15-13(18)6-3-7-16-15/h2-8,18H,9-10H2,1H3,(H,16,17,19)/p+1