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

Systemtic Name: 12-pyridin-1-ium-1-yldodecyl 2-methylprop-2-enoate bromide Openeye Name: 12-pyridin-1-ium-1-yldodecyl 2-methylprop-2-enoate bromide CAS Name: 2-methyl-2-propenoic acid 12-(1-pyridin-1-iumyl)dodecyl ester bromide IUPAC Name: 12-pyridin-1-ium-1-yldodecyl 2-methylprop-2-enoate bromide Traditional Name: 2-methylacrylic acid 12-pyridin-1-ium-1-yldodecyl ester bromide Formula: C21H34BrNO2 MolecularWeight: 412.40416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34NO2.BrH/c1-20(2)21(23)24-19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22;/h11,13-14,17-18H,1,3-10,12,15-16,19H2,2H3;1H/q+1;/p-1