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

Systemtic Name: (2S)-N-[[2-(2-fluoranylphenoxy)pyridin-3-yl]methyl]-1-methyl-azepan-1-ium-2-carboxamide Openeye Name: (2S)-N-[[2-(2-fluorophenoxy)-3-pyridyl]methyl]-1-methyl-azepan-1-ium-2-carboxamide CAS Name: (2S)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-2-azepan-1-iumcarboxamide IUPAC Name: (2S)-N-[[2-(2-fluorophenoxy)pyridin-3-yl]methyl]-1-methylazepan-1-ium-2-carboxamide Traditional Name: (2S)-N-[[2-(2-fluorophenoxy)-3-pyridyl]methyl]-1-methyl-azepan-1-ium-2-carboxamide Formula: C20H25FN3O2+ MolecularWeight: 358.429803

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCCC1C(=O)NCC2=C(N=CC=C2)OC3=CC=CC=C3F

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O2/c1-24-13-6-2-3-10-17(24)19(25)23-14-15-8-7-12-22-20(15)26-18-11-5-4-9-16(18)21/h4-5,7-9,11-12,17H,2-3,6,10,13-14H2,1H3,(H,23,25)/p+1/t17-/m0/s1