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

Systemtic Name: 2-(4-oxidanylpiperidin-1-ium-1-yl)-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]acetamide CAS Name: 2-(4-hydroxy-1-piperidin-1-iumyl)-N-[2-phenyl-5-(2,4,5-trimethylphenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-(4-hydroxypiperidin-1-ium-1-yl)-N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]acetamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)C[NH+]3CCC(CC3)O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)C[NH+]3CCC(CC3)O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H30N4O2/c1-17-13-19(3)22(14-18(17)2)23-15-24(29(27-23)20-7-5-4-6-8-20)26-25(31)16-28-11-9-21(30)10-12-28/h4-8,13-15,21,30H,9-12,16H2,1-3H3,(H,26,31)/p+1