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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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