(1-butylpyridin-1-ium-2-yl) 2-methylprop-2-enoate bromide

Systemtic Name: (1-butylpyridin-1-ium-2-yl) 2-methylprop-2-enoate bromide Openeye Name: (1-butylpyridin-1-ium-2-yl) 2-methylprop-2-enoate bromide CAS Name: 2-methyl-2-propenoic acid (1-butyl-2-pyridin-1-iumyl) ester bromide IUPAC Name: (1-butylpyridin-1-ium-2-yl) 2-methylprop-2-enoate bromide Traditional Name: 2-methylacrylic acid (1-butylpyridin-1-ium-2-yl) ester bromide Formula: C13H18BrNO2 MolecularWeight: 300.19152

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC=C1OC(=O)C(=C)C.[Br-]

Isomeric SMILES

CCCC[N+]1=CC=CC=C1OC(=O)C(=C)C.[Br-]

InChI

InChI=1S/C13H18NO2.BrH/c1-4-5-9-14-10-7-6-8-12(14)16-13(15)11(2)3;/h6-8,10H,2,4-5,9H2,1,3H3;1H/q+1;/p-1