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

Systemtic Name: 2-(2,4-dimethylphenyl)-5-(2-fluorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-5-(2-fluorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-5-(2-fluorophenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-5-(2-fluorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-5-(2-fluorophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C25H30FN4O+ MolecularWeight: 421.530303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3F)C(=O)NCC[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3F)C(=O)NCC[NH+]4CCCCC4)C

InChI

InChI=1S/C25H29FN4O/c1-18-10-11-23(19(2)16-18)30-24(17-22(28-30)20-8-4-5-9-21(20)26)25(31)27-12-15-29-13-6-3-7-14-29/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,27,31)/p+1