N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C13H21N4O3+ MolecularWeight: 281.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C13H20N4O3/c1-13(2,3)9-6-12(20-16-9)15-11(19)8-17-5-4-14-10(18)7-17/h6H,4-5,7-8H2,1-3H3,(H,14,18)(H,15,19)/p+1