methyl 1-[(5-cyano-2-fluoranyl-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(5-cyano-2-fluoranyl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(5-cyano-2-fluoro-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-cyano-2-fluorophenyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(5-cyano-2-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(5-cyano-2-fluoro-benzyl)piperidin-1-ium-4-carboxylic acid methyl ester Formula: C15H18FN2O2+ MolecularWeight: 277.314023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C15H17FN2O2/c1-20-15(19)12-4-6-18(7-5-12)10-13-8-11(9-17)2-3-14(13)16/h2-3,8,12H,4-7,10H2,1H3/p+1