(1-propylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide

Systemtic Name: (1-propylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide Openeye Name: (1-propylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide CAS Name: N,N-dimethylcarbamic acid (1-propyl-3-pyridin-1-iumyl) ester bromide IUPAC Name: (1-propylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide Traditional Name: N,N-dimethylcarbamic acid (1-propylpyridin-1-ium-3-yl) ester bromide Formula: C11H17BrN2O2 MolecularWeight: 289.16888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N2O2.BrH/c1-4-7-13-8-5-6-10(9-13)15-11(14)12(2)3;/h5-6,8-9H,4,7H2,1-3H3;1H/q+1;/p-1