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

Systemtic Name: 4-(2-tert-butyl-4-cyclohexyl-phenyl)-1-oxidanidyl-pyridin-1-ium-3-carboxylate Openeye Name: 4-(2-tert-butyl-4-cyclohexyl-phenyl)-1-oxido-pyridin-1-ium-3-carboxylate CAS Name: 4-(2-tert-butyl-4-cyclohexylphenyl)-1-oxido-3-pyridin-1-iumcarboxylate IUPAC Name: 4-(2-tert-butyl-4-cyclohexylphenyl)-1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 4-(2-tert-butyl-4-cyclohexyl-phenyl)-1-oxido-pyridin-1-ium-3-carboxylate Formula: C22H26NO3- MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3/c1-22(2,3)20-13-16(15-7-5-4-6-8-15)9-10-18(20)17-11-12-23(26)14-19(17)21(24)25/h9-15H,4-8H2,1-3H3,(H,24,25)/p-1