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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-methylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-methyl-1-piperidin-1-iumyl)acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C19H26N4O2/c1-14-9-11-22(12-10-14)13-17(24)20-18-15(2)21(3)23(19(18)25)16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,20,24)/p+1