N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-furanyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C13H17N4O3+ MolecularWeight: 277.29908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)C[NH+]2CCNC(=O)C2)C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)C[NH+]2CCNC(=O)C2)C

InChI

InChI=1S/C13H16N4O3/c1-8-9(2)20-13(10(8)5-14)16-12(19)7-17-4-3-15-11(18)6-17/h3-4,6-7H2,1-2H3,(H,15,18)(H,16,19)/p+1