lithium 4-fluoranyl-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-4-yl]methyl]piperidine-4-carboxylate

Systemtic Name: lithium 4-fluoranyl-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-4-yl]methyl]piperidine-4-carboxylate Openeye Name: lithium 1-[[2-(tert-butoxycarbonylamino)-4-pyridyl]methyl]-4-fluoro-piperidine-4-carboxylate CAS Name: lithium 4-fluoro-1-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pyridinyl]methyl]-4-piperidinecarboxylate IUPAC Name: lithium 4-fluoro-1-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-4-yl]methyl]piperidine-4-carboxylate Traditional Name: lithium 1-[[2-(tert-butoxycarbonylamino)-4-pyridyl]methyl]-4-fluoro-isonipecotate Formula: C17H23FLiN3O4 MolecularWeight: 359.321623

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC(C)(C)OC(=O)NC1=NC=CC(=C1)CN2CCC(CC2)(C(=O)[O-])F

Isomeric SMILES

[Li+].CC(C)(C)OC(=O)NC1=NC=CC(=C1)CN2CCC(CC2)(C(=O)[O-])F

InChI

InChI=1S/C17H24FN3O4.Li/c1-16(2,3)25-15(24)20-13-10-12(4-7-19-13)11-21-8-5-17(18,6-9-21)14(22)23;/h4,7,10H,5-6,8-9,11H2,1-3H3,(H,22,23)(H,19,20,24);/q;+1/p-1