2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-[bis(chloranyl)amino]-3-methyl-butanoate

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-[bis(chloranyl)amino]-3-methyl-butanoate Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-(dichloroamino)-3-methyl-butanoate CAS Name: 3-(dichloroamino)-3-methylbutanoic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-(dichloroamino)-3-methylbutanoate Traditional Name: 3-(dichloroamino)-3-methyl-butyric acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester Formula: C13H25Cl2N2O2+ MolecularWeight: 312.2558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25Cl2N2O2/c1-13(2,16(14)15)11-12(18)19-10-9-17(3)7-5-4-6-8-17/h4-11H2,1-3H3/q+1