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

Systemtic Name: 5-cyclopropyl-2-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide Openeye Name: 5-cyclopropyl-2-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide CAS Name: 5-cyclopropyl-2-phenyl-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-2-phenyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide Traditional Name: 5-cyclopropyl-2-phenyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]pyrazole-3-carboxamide Formula: C26H31N4O+ MolecularWeight: 415.55054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C26H30N4O/c31-26(25-17-24(20-13-14-20)28-30(25)23-11-3-1-4-12-23)27-18-21-9-5-6-10-22(21)19-29-15-7-2-8-16-29/h1,3-6,9-12,17,20H,2,7-8,13-16,18-19H2,(H,27,31)/p+1