N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-pyrazol-1-yl-ethanamide

Systemtic Name: N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-pyrazol-1-yl-ethanamide Openeye Name: N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-pyrazol-1-yl-acetamide CAS Name: N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-2-(1-pyrazolyl)acetamide IUPAC Name: N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide Traditional Name: N-[[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-pyrazol-1-yl-acetamide Formula: C20H28FN4O+ MolecularWeight: 359.460923

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=CC=C2F)C(=O)CN3C=CC=N3

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2F)C(=O)CN3C=CC=N3

InChI

InChI=1S/C20H27FN4O/c1-23(20(26)16-25-12-5-10-22-25)14-17-6-4-11-24(15-17)13-9-18-7-2-3-8-19(18)21/h2-3,5,7-8,10,12,17H,4,6,9,11,13-16H2,1H3/p+1/t17-/m1/s1