1-(4-methylpyridin-1-ium-1-yl)undecyl 2-methylprop-2-enoate bromide

Systemtic Name: 1-(4-methylpyridin-1-ium-1-yl)undecyl 2-methylprop-2-enoate bromide Openeye Name: 1-(4-methylpyridin-1-ium-1-yl)undecyl 2-methylprop-2-enoate bromide CAS Name: 2-methyl-2-propenoic acid 1-(4-methyl-1-pyridin-1-iumyl)undecyl ester bromide IUPAC Name: 1-(4-methylpyridin-1-ium-1-yl)undecyl 2-methylprop-2-enoate bromide Traditional Name: 2-methylacrylic acid 1-(4-methylpyridin-1-ium-1-yl)undecyl ester bromide Formula: C21H34BrNO2 MolecularWeight: 412.40416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34NO2.BrH/c1-5-6-7-8-9-10-11-12-13-20(24-21(23)18(2)3)22-16-14-19(4)15-17-22;/h14-17,20H,2,5-13H2,1,3-4H3;1H/q+1;/p-1