2-(4-bromanyl-2-fluoranyl-phenoxy)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-phenoxy)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromo-2-fluoro-phenoxy)acetamide CAS Name: 2-(4-bromo-2-fluorophenoxy)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromo-2-fluorophenoxy)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromo-2-fluoro-phenoxy)acetamide Formula: C20H23BrFN2O2+ MolecularWeight: 422.311223

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)COC2=C(C=C(C=C2)Br)F)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)COC2=C(C=C(C=C2)Br)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H22BrFN2O2/c21-16-6-7-19(18(22)12-16)26-14-20(25)23-17-8-10-24(11-9-17)13-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14H2,(H,23,25)/p+1