N-[2-[1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide

Systemtic Name: N-[2-[1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: N-[2-[1-[[2-(2-phenylethynyl)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-[1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-[2-(2-phenylethynyl)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C25H27N4O+ MolecularWeight: 399.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=CC=C3C#CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=CC=C3C#CC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O/c1-20(30)27-25-13-16-26-29(25)24-14-17-28(18-15-24)19-23-10-6-5-9-22(23)12-11-21-7-3-2-4-8-21/h2-10,13,16,24H,14-15,17-19H2,1H3,(H,27,30)/p+1