[3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate chloride

Systemtic Name: [3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate chloride Openeye Name: [3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate chloride CAS Name: 2,2-dimethylpropanoic acid [3-[dimethylamino(oxo)methoxy]-1-pyridin-1-iumyl]methyl ester chloride IUPAC Name: [3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate chloride Traditional Name: 2,2-dimethylpropionic acid [3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]methyl ester chloride Formula: C14H21ClN2O4 MolecularWeight: 316.78054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Cl-]

Isomeric SMILES

CC(C)(C)C(=O)OC[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Cl-]

InChI

InChI=1S/C14H21N2O4.ClH/c1-14(2,3)12(17)19-10-16-8-6-7-11(9-16)20-13(18)15(4)5;/h6-9H,10H2,1-5H3;1H/q+1;/p-1