methyl 1-[bis(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[bis(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[bis(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[bis(4-fluorophenyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[bis(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[bis(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H22F2NO2+ MolecularWeight: 346.390986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21F2NO2/c1-25-20(24)16-10-12-23(13-11-16)19(14-2-6-17(21)7-3-14)15-4-8-18(22)9-5-15/h2-9,16,19H,10-13H2,1H3/p+1