3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide CAS Name: 3-phenyl-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-phenyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-1H-pyrazole-5-carboxamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c28-23(22-15-21(25-26-22)18-9-3-1-4-10-18)24-16-19-11-5-6-12-20(19)17-27-13-7-2-8-14-27/h1,3-6,9-12,15H,2,7-8,13-14,16-17H2,(H,24,28)(H,25,26)/p+1