N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)C2=C[N+](=CC=C2)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)C2=C[N+](=CC=C2)[O-])C)C(C)(C)C

InChI

InChI=1S/C20H26N2O2/c1-14-11-17(20(3,4)5)12-15(2)18(14)8-9-21-19(23)16-7-6-10-22(24)13-16/h6-7,10-13H,8-9H2,1-5H3,(H,21,23)