3-(2-fluorophenyl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(2-fluorophenyl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(2-fluorophenyl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide CAS Name: 3-(2-fluorophenyl)-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(2-fluorophenyl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(2-fluorophenyl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide Formula: C21H23FN5O+ MolecularWeight: 380.438623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3=CC(=NN3)C4=CC=CC=C4F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3=CC(=NN3)C4=CC=CC=C4F

InChI

InChI=1S/C21H22FN5O/c22-18-9-2-1-8-17(18)19-12-20(26-25-19)21(28)24-16-7-5-11-27(14-16)13-15-6-3-4-10-23-15/h1-4,6,8-10,12,16H,5,7,11,13-14H2,(H,24,28)(H,25,26)/p+1/t16-/m0/s1