N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C24H30N5O3+ MolecularWeight: 436.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O3/c1-24(2,3)20-16-21(29(26-20)18-8-5-4-6-9-18)25-22(30)17-27-11-13-28(14-12-27)23(31)19-10-7-15-32-19/h4-10,15-16H,11-14,17H2,1-3H3,(H,25,30)/p+1