(4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=CC=[N+]2[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=CC=[N+]2[O-])C)C(C)(C)C

InChI

InChI=1S/C19H23NO3/c1-13-10-15(19(3,4)5)11-14(2)16(13)12-23-18(21)17-8-6-7-9-20(17)22/h6-11H,12H2,1-5H3