2-[3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]ethyl N,N-dimethylcarbamate bromide

Systemtic Name: 2-[3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]ethyl N,N-dimethylcarbamate bromide Openeye Name: 2-[3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]ethyl N,N-dimethylcarbamate bromide CAS Name: N,N-dimethylcarbamic acid 2-[3-[dimethylamino(oxo)methoxy]-1-pyridin-1-iumyl]ethyl ester bromide IUPAC Name: 2-[3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]ethyl N,N-dimethylcarbamate bromide Traditional Name: N,N-dimethylcarbamic acid 2-[3-(dimethylcarbamoyloxy)pyridin-1-ium-1-yl]ethyl ester bromide Formula: C13H20BrN3O4 MolecularWeight: 362.2196

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OCC[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Br-]

Isomeric SMILES

CN(C)C(=O)OCC[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Br-]

InChI

InChI=1S/C13H20N3O4.BrH/c1-14(2)12(17)19-9-8-16-7-5-6-11(10-16)20-13(18)15(3)4;/h5-7,10H,8-9H2,1-4H3;1H/q+1;/p-1