1-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-bromo-4-fluoro-phenyl)methyl]-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-bromo-4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-bromo-4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-bromo-4-fluoro-benzyl)-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide Formula: C20H23BrFN2O2+ MolecularWeight: 422.311223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Br

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C20H22BrFN2O2/c1-26-19-5-3-2-4-18(19)23-20(25)14-8-10-24(11-9-14)13-15-6-7-16(22)12-17(15)21/h2-7,12,14H,8-11,13H2,1H3,(H,23,25)/p+1