(4-tert-butylphenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (4-tert-butylbenzyl) ester Formula: C17H19NO3 MolecularWeight: 285.33766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C17H19NO3/c1-17(2,3)15-6-4-13(5-7-15)12-21-16(19)14-8-10-18(20)11-9-14/h4-11H,12H2,1-3H3