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

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C26H32N4O/c1-20-25(21(2)30(28-20)24-9-5-3-6-10-24)17-26(31)27-18-22-11-13-23(14-12-22)19-29-15-7-4-8-16-29/h3,5-6,9-14H,4,7-8,15-19H2,1-2H3,(H,27,31)/p+1