tert-butyl 2-methyl-6-[6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridin-2-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxylate

Systemtic Name: tert-butyl 2-methyl-6-[6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridin-2-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxylate Openeye Name: tert-butyl 2-(4-tert-butoxycarbonyl-6-methyl-2-pyridyl)-6-methyl-1-oxido-pyridin-1-ium-4-carboxylate CAS Name: 2-methyl-6-[6-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyridinyl]-1-oxido-4-pyridin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-6-[6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridin-2-yl]-1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 2-(4-tert-butoxycarbonyl-6-methyl-2-pyridyl)-6-methyl-1-oxido-pyridin-1-ium-4-carboxylic acid tert-butyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C2=[N+](C(=CC(=C2)C(=O)OC(C)(C)C)C)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=N1)C2=[N+](C(=CC(=C2)C(=O)OC(C)(C)C)C)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C22H28N2O5/c1-13-9-15(19(25)28-21(3,4)5)11-17(23-13)18-12-16(10-14(2)24(18)27)20(26)29-22(6,7)8/h9-12H,1-8H3