methyl (E)-3-[1-(2-acetyloxyethyl)pyridin-1-ium-3-yl]prop-2-enoate bromide

Systemtic Name: methyl (E)-3-[1-(2-acetyloxyethyl)pyridin-1-ium-3-yl]prop-2-enoate bromide Openeye Name: methyl (E)-3-[1-(2-acetoxyethyl)pyridin-1-ium-3-yl]prop-2-enoate bromide CAS Name: (E)-3-[1-(2-acetyloxyethyl)-3-pyridin-1-iumyl]-2-propenoic acid methyl ester bromide IUPAC Name: methyl (E)-3-[1-(2-acetyloxyethyl)pyridin-1-ium-3-yl]prop-2-enoate bromide Traditional Name: (E)-3-[1-(2-acetoxyethyl)pyridin-1-ium-3-yl]acrylic acid methyl ester bromide Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16NO4.BrH/c1-11(15)18-9-8-14-7-3-4-12(10-14)5-6-13(16)17-2;/h3-7,10H,8-9H2,1-2H3;1H/q+1;/p-1/b6-5+;