1-pyridin-1-ium-1-yldodecyl 2-methylprop-2-enoate bromide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34NO2.BrH/c1-4-5-6-7-8-9-10-11-13-16-20(24-21(23)19(2)3)22-17-14-12-15-18-22;/h12,14-15,17-18,20H,2,4-11,13,16H2,1,3H3;1H/q+1;/p-1