N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(5-keto-1-phenyl-2-pyrazolin-3-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=NN(C(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4O2/c21-15(12-19-9-5-2-6-10-19)17-14-11-16(22)20(18-14)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,18,21)/p+1