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

Systemtic Name: 2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(2,5-dimethylphenyl)-5-(2-fluorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C24H28FN4O+ MolecularWeight: 407.503723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CC=C3F)C(=O)NCC[NH+]4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CC=C3F)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C24H27FN4O/c1-17-9-10-18(2)22(15-17)29-23(24(30)26-11-14-28-12-5-6-13-28)16-21(27-29)19-7-3-4-8-20(19)25/h3-4,7-10,15-16H,5-6,11-14H2,1-2H3,(H,26,30)/p+1