(2S)-N-[[2-(2-fluoranylphenoxy)pyridin-3-yl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[[2-(2-fluoranylphenoxy)pyridin-3-yl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[[2-(2-fluorophenoxy)-3-pyridyl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide CAS Name: (2S)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-N-[[2-(2-fluorophenoxy)pyridin-3-yl]methyl]-1-methylpiperidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[[2-(2-fluorophenoxy)-3-pyridyl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide Formula: C19H23FN3O2+ MolecularWeight: 344.403223

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1C(=O)NCC2=C(N=CC=C2)OC3=CC=CC=C3F

Isomeric SMILES

C[NH+]1CCCC[C@H]1C(=O)NCC2=C(N=CC=C2)OC3=CC=CC=C3F

InChI

InChI=1S/C19H22FN3O2/c1-23-12-5-4-9-16(23)18(24)22-13-14-7-6-11-21-19(14)25-17-10-3-2-8-15(17)20/h2-3,6-8,10-11,16H,4-5,9,12-13H2,1H3,(H,22,24)/p+1/t16-/m0/s1