2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-oxidanylpyridin-1-ium-2-yl)ethanamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-oxidanylpyridin-1-ium-2-yl)ethanamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-(3-hydroxypyridin-1-ium-2-yl)acetamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(3-hydroxy-2-pyridin-1-iumyl)acetamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-hydroxypyridin-1-ium-2-yl)acetamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(3-hydroxypyridin-1-ium-2-yl)acetamide Formula: C13H16N3O3S+ MolecularWeight: 294.34944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=CC=[NH+]2)O

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NC2=C(C=CC=[NH+]2)O

InChI

InChI=1S/C13H15N3O3S/c1-8-10(9(2)19-16-8)6-20-7-12(18)15-13-11(17)4-3-5-14-13/h3-5,17H,6-7H2,1-2H3,(H,14,15,18)/p+1