N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C[NH+]2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H28N4O/c1-20(2,3)17-14-18(24(22-17)16-10-6-4-7-11-16)21-19(25)15-23-12-8-5-9-13-23/h4,6-7,10-11,14H,5,8-9,12-13,15H2,1-3H3,(H,21,25)/p+1