1-[(5-cyano-2-fluoranyl-phenyl)methyl]-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-cyano-2-fluoranyl-phenyl)methyl]-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-cyano-2-fluoro-phenyl)methyl]-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-cyano-2-fluorophenyl)methyl]-N-(2-methoxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-cyano-2-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(5-cyano-2-fluoro-benzyl)-N-(2-methoxyphenyl)piperidin-1-ium-4-carboxamide Formula: C21H23FN3O2+ MolecularWeight: 368.424623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O2/c1-27-20-5-3-2-4-19(20)24-21(26)16-8-10-25(11-9-16)14-17-12-15(13-23)6-7-18(17)22/h2-7,12,16H,8-11,14H2,1H3,(H,24,26)/p+1