ethyl (E)-3-(3-methylpyridin-1-ium-1-yl)prop-2-enoate bromide

Systemtic Name: ethyl (E)-3-(3-methylpyridin-1-ium-1-yl)prop-2-enoate bromide Openeye Name: ethyl (E)-3-(3-methylpyridin-1-ium-1-yl)prop-2-enoate bromide CAS Name: (E)-3-(3-methyl-1-pyridin-1-iumyl)-2-propenoic acid ethyl ester bromide IUPAC Name: ethyl (E)-3-(3-methylpyridin-1-ium-1-yl)prop-2-enoate bromide Traditional Name: (E)-3-(3-methylpyridin-1-ium-1-yl)acrylic acid ethyl ester bromide Formula: C11H14BrNO2 MolecularWeight: 272.13836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14NO2.BrH/c1-3-14-11(13)6-8-12-7-4-5-10(2)9-12;/h4-9H,3H2,1-2H3;1H/q+1;/p-1/b8-6+;