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

Systemtic Name: 2,5-bis(4-fluorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2,5-bis(4-fluorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2,5-bis(4-fluorophenyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-bis(4-fluorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2,5-bis(4-fluorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C22H23F2N4O+ MolecularWeight: 397.441026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22F2N4O/c23-17-5-3-16(4-6-17)20-15-21(22(29)25-11-14-27-12-1-2-13-27)28(26-20)19-9-7-18(24)8-10-19/h3-10,15H,1-2,11-14H2,(H,25,29)/p+1