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

Systemtic Name: 2-(4-butan-2-ylpyridin-1-ium-1-yl)-3-(dioxidanyl)-2-methyl-propanoate Openeye Name: 3-hydroperoxy-2-methyl-2-(4-sec-butylpyridin-1-ium-1-yl)propanoate CAS Name: 2-(4-butan-2-yl-1-pyridin-1-iumyl)-3-hydroperoxy-2-methylpropanoate IUPAC Name: 2-(4-butan-2-ylpyridin-1-ium-1-yl)-3-hydroperoxy-2-methylpropanoate Traditional Name: 3-hydroperoxy-2-methyl-2-(4-sec-butylpyridin-1-ium-1-yl)propionate Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-4-10(2)11-5-7-14(8-6-11)13(3,9-18-17)12(15)16/h5-8,10H,4,9H2,1-3H3,(H-,15,16,17)