2-[(3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-2-yl)sulfanyl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-2-yl)thio]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-2-yl)thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C16H17N4O2S+ MolecularWeight: 329.39678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=[NH+]C3=C(CCCC3)C=C2C#N

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=[NH+]C3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C16H16N4O2S/c1-10-6-14(20-22-10)19-15(21)9-23-16-12(8-17)7-11-4-2-3-5-13(11)18-16/h6-7H,2-5,9H2,1H3,(H,19,20,21)/p+1