2-(4-butan-2-ylpyridin-1-ium-1-yl)-2-methyl-3-methylperoxy-propanoate

Systemtic Name: 2-(4-butan-2-ylpyridin-1-ium-1-yl)-2-methyl-3-methylperoxy-propanoate Openeye Name: 2-methyl-3-methylperoxy-2-(4-sec-butylpyridin-1-ium-1-yl)propanoate CAS Name: 2-(4-butan-2-yl-1-pyridin-1-iumyl)-2-methyl-3-methyldioxypropanoate IUPAC Name: 2-(4-butan-2-ylpyridin-1-ium-1-yl)-2-methyl-3-methylperoxypropanoate Traditional Name: 2-methyl-3-methylperoxy-2-(4-sec-butylpyridin-1-ium-1-yl)propionate Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=[N+](C=C1)C(C)(COOC)C(=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=[N+](C=C1)C(C)(COOC)C(=O)[O-]

InChI

InChI=1S/C14H21NO4/c1-5-11(2)12-6-8-15(9-7-12)14(3,13(16)17)10-19-18-4/h6-9,11H,5,10H2,1-4H3