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

Systemtic Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-ethanamide Openeye Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-acetamide CAS Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-2-(1-pyrazolyl)acetamide IUPAC Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-pyrazol-1-ylacetamide Traditional Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-acetamide Formula: C21H30FN4O+ MolecularWeight: 373.487503

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCC[NH+](C1)CCC2=CC(=CC=C2)F)C(=O)CN3C=CC=N3

Isomeric SMILES

CCN(C[C@H]1CCC[NH+](C1)CCC2=CC(=CC=C2)F)C(=O)CN3C=CC=N3

InChI

InChI=1S/C21H29FN4O/c1-2-25(21(27)17-26-12-5-10-23-26)16-19-7-4-11-24(15-19)13-9-18-6-3-8-20(22)14-18/h3,5-6,8,10,12,14,19H,2,4,7,9,11,13,15-17H2,1H3/p+1/t19-/m0/s1