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

Systemtic Name: methyl 1-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(4-fluorophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-fluorobenzyl)piperidin-1-ium-4-carbonyl]isonipecotic acid methyl ester Formula: C20H28FN2O3+ MolecularWeight: 363.446323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H27FN2O3/c1-26-20(25)17-8-12-23(13-9-17)19(24)16-6-10-22(11-7-16)14-15-2-4-18(21)5-3-15/h2-5,16-17H,6-14H2,1H3/p+1