2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-(chloranylamino)-3-methyl-butanoate chloride

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-(chloranylamino)-3-methyl-butanoate chloride Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-(chloroamino)-3-methyl-butanoate chloride CAS Name: 3-(chloroamino)-3-methylbutanoic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-(chloroamino)-3-methylbutanoate chloride Traditional Name: 3-(chloroamino)-3-methyl-butyric acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester chloride Formula: C13H26Cl2N2O2 MolecularWeight: 313.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)OCC[N+]1(CCCCC1)C)NCl.[Cl-]

Isomeric SMILES

CC(C)(CC(=O)OCC[N+]1(CCCCC1)C)NCl.[Cl-]

InChI

InChI=1S/C13H26ClN2O2.ClH/c1-13(2,15-14)11-12(17)18-10-9-16(3)7-5-4-6-8-16;/h15H,4-11H2,1-3H3;1H/q+1;/p-1