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

Systemtic Name: 2-(4-butan-2-ylpyridin-1-ium-1-yl)-3-(dioxidanyl)-2-methyl-propanoic acid Openeye Name: 3-hydroperoxy-2-methyl-2-(4-sec-butylpyridin-1-ium-1-yl)propanoic acid CAS Name: 2-(4-butan-2-yl-1-pyridin-1-iumyl)-3-hydroperoxy-2-methylpropanoic acid IUPAC Name: 2-(4-butan-2-ylpyridin-1-ium-1-yl)-3-hydroperoxy-2-methylpropanoic acid Traditional Name: 3-hydroperoxy-2-methyl-2-(4-sec-butylpyridin-1-ium-1-yl)propionic acid Formula: C13H20NO4+ MolecularWeight: 254.3022

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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)/p+1