1-(2,4,4-trimethylpentan-2-yl)pyridin-1-ium ethanoate

Systemtic Name: 1-(2,4,4-trimethylpentan-2-yl)pyridin-1-ium ethanoate Openeye Name: 1-(1,1,3,3-tetramethylbutyl)pyridin-1-ium acetate CAS Name: 1-(2,4,4-trimethylpentan-2-yl)pyridin-1-ium acetate IUPAC Name: 1-(2,4,4-trimethylpentan-2-yl)pyridin-1-ium acetate Traditional Name: 1-(1,1,3,3-tetramethylbutyl)pyridin-1-ium acetate Formula: C15H25NO2 MolecularWeight: 251.3645

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(C)(C)CC(C)(C)[N+]1=CC=CC=C1

Isomeric SMILES

CC(=O)[O-].CC(C)(C)CC(C)(C)[N+]1=CC=CC=C1

InChI

InChI=1S/C13H22N.C2H4O2/c1-12(2,3)11-13(4,5)14-9-7-6-8-10-14;1-2(3)4/h6-10H,11H2,1-5H3;1H3,(H,3,4)/q+1;/p-1