2-(2,5-dimethylpyridin-1-ium-1-yl)-1-piperidin-1-yl-ethanone bromide

Systemtic Name: 2-(2,5-dimethylpyridin-1-ium-1-yl)-1-piperidin-1-yl-ethanone bromide Openeye Name: 2-(2,5-dimethylpyridin-1-ium-1-yl)-1-(1-piperidyl)ethanone bromide CAS Name: 2-(2,5-dimethyl-1-pyridin-1-iumyl)-1-(1-piperidinyl)ethanone bromide IUPAC Name: 2-(2,5-dimethylpyridin-1-ium-1-yl)-1-piperidin-1-ylethanone bromide Traditional Name: 2-(2,5-dimethylpyridin-1-ium-1-yl)-1-piperidino-ethanone bromide Formula: C14H21BrN2O MolecularWeight: 313.23334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C=C1)C)CC(=O)N2CCCCC2.[Br-]

Isomeric SMILES

CC1=C[N+](=C(C=C1)C)CC(=O)N2CCCCC2.[Br-]

InChI

InChI=1S/C14H21N2O.BrH/c1-12-6-7-13(2)16(10-12)11-14(17)15-8-4-3-5-9-15;/h6-7,10H,3-5,8-9,11H2,1-2H3;1H/q+1;/p-1