3-(4-fluorophenyl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-1-phenyl-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-pyrazolecarboxamide IUPAC Name: 3-(4-fluorophenyl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-1-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Formula: C25H30FN4O+ MolecularWeight: 421.530303

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C

InChI

InChI=1S/C25H29FN4O/c1-24(2)14-19(15-25(3,4)29-24)27-23(31)21-16-30(20-8-6-5-7-9-20)28-22(21)17-10-12-18(26)13-11-17/h5-13,16,19,29H,14-15H2,1-4H3,(H,27,31)/p+1