N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-(4-hydroxy-1-piperidin-1-iumyl)-N-[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-N-[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]acetamide Traditional Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C[NH+]3CCC(CC3)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C[NH+]3CCC(CC3)O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-17-7-9-18(10-8-17)21-15-22(27(25-21)19-5-3-2-4-6-19)24-23(29)16-26-13-11-20(28)12-14-26/h2-10,15,20,28H,11-14,16H2,1H3,(H,24,29)/p+1