N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C17H25N6O2+ MolecularWeight: 345.4194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H24N6O2/c1-17(2,3)13-11-15(25-21-13)20-14(24)12-22-7-9-23(10-8-22)16-18-5-4-6-19-16/h4-6,11H,7-10,12H2,1-3H3,(H,20,24)/p+1