1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-p-anisyl-piperidin-1-ium-4-carboxamide Formula: C21H25ClFN2O2+ MolecularWeight: 391.886803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H24ClFN2O2/c1-27-17-7-5-15(6-8-17)13-24-21(26)16-9-11-25(12-10-16)14-18-19(22)3-2-4-20(18)23/h2-8,16H,9-14H2,1H3,(H,24,26)/p+1