N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-keto-2-morpholino-ethyl)piperazin-1-ium-1-yl]acetamide Formula: C25H37N6O3+ MolecularWeight: 469.59968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H36N6O3/c1-25(2,3)21-17-22(31(27-21)20-7-5-4-6-8-20)26-23(32)18-28-9-11-29(12-10-28)19-24(33)30-13-15-34-16-14-30/h4-8,17H,9-16,18-19H2,1-3H3,(H,26,32)/p+1