(1-methylpyridin-1-ium-3-yl) piperidine-1-carboxylate bromide

Systemtic Name: (1-methylpyridin-1-ium-3-yl) piperidine-1-carboxylate bromide Openeye Name: (1-methylpyridin-1-ium-3-yl) piperidine-1-carboxylate bromide CAS Name: 1-piperidinecarboxylic acid (1-methyl-3-pyridin-1-iumyl) ester bromide IUPAC Name: (1-methylpyridin-1-ium-3-yl) piperidine-1-carboxylate bromide Traditional Name: piperidine-1-carboxylic acid (1-methylpyridin-1-ium-3-yl) ester bromide Formula: C12H17BrN2O2 MolecularWeight: 301.17958

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)OC(=O)N2CCCCC2.[Br-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)OC(=O)N2CCCCC2.[Br-]

InChI

InChI=1S/C12H17N2O2.BrH/c1-13-7-5-6-11(10-13)16-12(15)14-8-3-2-4-9-14;/h5-7,10H,2-4,8-9H2,1H3;1H/q+1;/p-1