N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3-tert-butylisoxazol-5-yl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(3-tert-butyl-5-isoxazolyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(3-tert-butylisoxazol-5-yl)acetamide Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3/c1-20(2,3)16-13-18(27-22-16)21-17(25)14-23-9-11-24(12-10-23)19(26)15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3,(H,21,25)/p+1