5-(3-fluorophenyl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(3-fluorophenyl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1H-pyrazole-4-carboxamide Openeye Name: 5-(3-fluorophenyl)-N-[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-1H-pyrazole-4-carboxamide CAS Name: 5-(3-fluorophenyl)-N-[(3R)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-1H-pyrazole-4-carboxamide IUPAC Name: 5-(3-fluorophenyl)-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1H-pyrazole-4-carboxamide Traditional Name: 5-(3-fluorophenyl)-N-[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-1H-pyrazole-4-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=C(NN=C3)C4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN5O/c22-16-6-3-5-15(11-16)20-19(12-24-26-20)21(28)25-18-8-4-10-27(14-18)13-17-7-1-2-9-23-17/h1-3,5-7,9,11-12,18H,4,8,10,13-14H2,(H,24,26)(H,25,28)/p+1/t18-/m1/s1