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

Systemtic Name: 2,5-bis(4-fluorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2,5-bis(4-fluorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2,5-bis(4-fluorophenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-bis(4-fluorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2,5-bis(4-fluorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C23H25F2N4O+ MolecularWeight: 411.467606

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H24F2N4O/c24-18-6-4-17(5-7-18)21-16-22(29(27-21)20-10-8-19(25)9-11-20)23(30)26-12-15-28-13-2-1-3-14-28/h4-11,16H,1-3,12-15H2,(H,26,30)/p+1