1-[(4-fluoranyl-2-methoxy-phenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-fluoranyl-2-methoxy-phenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-fluoro-2-methoxy-phenyl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-fluoro-2-methoxyphenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-fluoro-2-methoxy-benzyl)-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide Formula: C25H27FN3O3+ MolecularWeight: 436.498583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)F)C[NH+]2CCC(CC2)C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)F)C[NH+]2CCC(CC2)C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H26FN3O3/c1-31-23-15-20(26)8-7-19(23)17-29-13-11-18(12-14-29)25(30)28-21-9-10-24(27-16-21)32-22-5-3-2-4-6-22/h2-10,15-16,18H,11-14,17H2,1H3,(H,28,30)/p+1