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

Systemtic Name: 2-(4-fluorophenyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(4-fluorophenyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(4-fluorophenyl)-5-phenyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(4-fluorophenyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(4-fluorophenyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C22H24FN4O+ MolecularWeight: 379.450563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

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