N-[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[2-(4-fluorophenyl)-5-methyl-3-pyrazolyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Formula: C18H24FN4O+ MolecularWeight: 331.407763

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=CC(=NN2C3=CC=C(C=C3)F)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NC2=CC(=NN2C3=CC=C(C=C3)F)C

InChI

InChI=1S/C18H23FN4O/c1-13-11-17(23(21-13)16-8-6-15(19)7-9-16)20-18(24)12-22-10-4-3-5-14(22)2/h6-9,11,14H,3-5,10,12H2,1-2H3,(H,20,24)/p+1/t14-/m0/s1