2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide Openeye Name: 2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanyl-N-(5-methylisoxazol-3-yl)butanamide CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridin-1-iumyl)thio]-N-(5-methyl-3-isoxazolyl)butanamide IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-1-ium-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide Traditional Name: 2-[(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)thio]-N-(5-methylisoxazol-3-yl)butyramide Formula: C16H19N4O2S+ MolecularWeight: 331.41266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)SC2=C(C(=CC(=[NH+]2)C)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)SC2=C(C(=CC(=[NH+]2)C)C)C#N

InChI

InChI=1S/C16H18N4O2S/c1-5-13(15(21)19-14-7-11(4)22-20-14)23-16-12(8-17)9(2)6-10(3)18-16/h6-7,13H,5H2,1-4H3,(H,19,20,21)/p+1