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

Systemtic Name: (1-pentylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide Openeye Name: (1-pentylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide CAS Name: N,N-dimethylcarbamic acid (1-pentyl-3-pyridin-1-iumyl) ester bromide IUPAC Name: (1-pentylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide Traditional Name: N,N-dimethylcarbamic acid (1-amylpyridin-1-ium-3-yl) ester bromide Formula: C13H21BrN2O2 MolecularWeight: 317.22204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N2O2.BrH/c1-4-5-6-9-15-10-7-8-12(11-15)17-13(16)14(2)3;/h7-8,10-11H,4-6,9H2,1-3H3;1H/q+1;/p-1