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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C18H24N4O2/c1-14-17(19-16(23)13-21-11-7-4-8-12-21)18(24)22(20(14)2)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H,19,23)/p+1