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

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-oxo-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4

InChI

InChI=1S/C26H30N4O2/c1-19-24(20(2)30(28-19)23-13-5-3-6-14-23)25(31)26(32)27-17-21-11-7-8-12-22(21)18-29-15-9-4-10-16-29/h3,5-8,11-14H,4,9-10,15-18H2,1-2H3,(H,27,32)/p+1