2-(4-fluorophenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(4-fluorophenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(4-fluorophenyl)-5-phenyl-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(4-fluorophenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(4-fluorophenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C23H26FN4O+ MolecularWeight: 393.477143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C23H25FN4O/c24-19-9-11-20(12-10-19)28-22(17-21(26-28)18-7-3-1-4-8-18)23(29)25-13-16-27-14-5-2-6-15-27/h1,3-4,7-12,17H,2,5-6,13-16H2,(H,25,29)/p+1