1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C24H26F3N4O+ MolecularWeight: 443.48465

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C24H25F3N4O/c25-24(26,27)22-21(16-29-31(22)20-7-3-1-4-8-20)23(32)28-15-18-9-11-19(12-10-18)17-30-13-5-2-6-14-30/h1,3-4,7-12,16H,2,5-6,13-15,17H2,(H,28,32)/p+1