N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C24H31N6O+ MolecularWeight: 419.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C24H30N6O/c1-24(2,3)20-17-22(30(27-20)19-9-5-4-6-10-19)26-23(31)18-28-13-15-29(16-14-28)21-11-7-8-12-25-21/h4-12,17H,13-16,18H2,1-3H3,(H,26,31)/p+1