methyl 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-carbonyl]isonipecotic acid methyl ester Formula: C20H27ClFN2O3+ MolecularWeight: 397.891383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H26ClFN2O3/c1-27-20(26)15-7-11-24(12-8-15)19(25)14-5-9-23(10-6-14)13-16-17(21)3-2-4-18(16)22/h2-4,14-15H,5-13H2,1H3/p+1