5-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide Openeye Name: 5-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide CAS Name: 5-(4-fluorophenyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide IUPAC Name: 5-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide Traditional Name: 5-(4-fluorophenyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-1H-pyrazole-4-carboxamide Formula: C22H24FN4O+ MolecularWeight: 379.450563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=C(NN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=C(NN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O/c23-19-9-7-16(8-10-19)21-20(14-25-26-21)22(28)24-13-17-5-1-2-6-18(17)15-27-11-3-4-12-27/h1-2,5-10,14H,3-4,11-13,15H2,(H,24,28)(H,25,26)/p+1