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

Systemtic Name: (1-phenethylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide Openeye Name: (1-phenethylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide CAS Name: N,N-dimethylcarbamic acid (1-phenethyl-3-pyridin-1-iumyl) ester bromide IUPAC Name: (1-phenethylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide Traditional Name: N,N-dimethylcarbamic acid (1-phenethylpyridin-1-ium-3-yl) ester bromide Formula: C16H19BrN2O2 MolecularWeight: 351.23826

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=C[N+](=CC=C1)CCC2=CC=CC=C2.[Br-]

Isomeric SMILES

CN(C)C(=O)OC1=C[N+](=CC=C1)CCC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C16H19N2O2.BrH/c1-17(2)16(19)20-15-9-6-11-18(13-15)12-10-14-7-4-3-5-8-14;/h3-9,11,13H,10,12H2,1-2H3;1H/q+1;/p-1