(2-tert-butyl-4-cyclohexyl-phenyl) 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: (2-tert-butyl-4-cyclohexyl-phenyl) 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: (2-tert-butyl-4-cyclohexyl-phenyl) 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid (2-tert-butyl-4-cyclohexylphenyl) ester IUPAC Name: (2-tert-butyl-4-cyclohexylphenyl) 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid (2-tert-butyl-4-cyclohexyl-phenyl) ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C2CCCCC2)OC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C2CCCCC2)OC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C22H27NO3/c1-22(2,3)19-14-17(16-8-5-4-6-9-16)11-12-20(19)26-21(24)18-10-7-13-23(25)15-18/h7,10-16H,4-6,8-9H2,1-3H3