1-[1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]pyridin-1-ium-3-yl]ethanone

Systemtic Name: 1-[1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]pyridin-1-ium-3-yl]ethanone Openeye Name: 1-[1-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]pyridin-1-ium-3-yl]ethanone CAS Name: 1-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-3-pyridin-1-iumyl]ethanone IUPAC Name: 1-[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]pyridin-1-ium-3-yl]ethanone Traditional Name: 1-[1-(4-tert-butyl-2,6-dimethyl-benzyl)pyridin-1-ium-3-yl]ethanone Formula: C20H26NO+ MolecularWeight: 296.42654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C[N+]2=CC=CC(=C2)C(=O)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1C[N+]2=CC=CC(=C2)C(=O)C)C)C(C)(C)C

InChI

InChI=1S/C20H26NO/c1-14-10-18(20(4,5)6)11-15(2)19(14)13-21-9-7-8-17(12-21)16(3)22/h7-12H,13H2,1-6H3/q+1