2-(4-butan-2-ylpiperidin-1-ium-1-yl)-3-(2-chloroethylperoxy)-2-methyl-propanoate

Systemtic Name: 2-(4-butan-2-ylpiperidin-1-ium-1-yl)-3-(2-chloroethylperoxy)-2-methyl-propanoate Openeye Name: 3-(2-chloroethylperoxy)-2-methyl-2-(4-sec-butylpiperidin-1-ium-1-yl)propanoate CAS Name: 2-(4-butan-2-yl-1-piperidin-1-iumyl)-3-(2-chloroethyldioxy)-2-methylpropanoate IUPAC Name: 2-(4-butan-2-ylpiperidin-1-ium-1-yl)-3-(2-chloroethylperoxy)-2-methylpropanoate Traditional Name: 3-(2-chloroethylperoxy)-2-methyl-2-(4-sec-butylpiperidin-1-ium-1-yl)propionate Formula: C15H28ClNO4 MolecularWeight: 321.84012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1CC[NH+](CC1)C(C)(COOCCCl)C(=O)[O-]

Isomeric SMILES

CCC(C)C1CC[NH+](CC1)C(C)(COOCCCl)C(=O)[O-]

InChI

InChI=1S/C15H28ClNO4/c1-4-12(2)13-5-8-17(9-6-13)15(3,14(18)19)11-21-20-10-7-16/h12-13H,4-11H2,1-3H3,(H,18,19)