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

Systemtic Name: methyl (E)-3-[1-(3-acetyloxypropyl)pyridin-1-ium-3-yl]prop-2-enoate bromide Openeye Name: methyl (E)-3-[1-(3-acetoxypropyl)pyridin-1-ium-3-yl]prop-2-enoate bromide CAS Name: (E)-3-[1-(3-acetyloxypropyl)-3-pyridin-1-iumyl]-2-propenoic acid methyl ester bromide IUPAC Name: methyl (E)-3-[1-(3-acetyloxypropyl)pyridin-1-ium-3-yl]prop-2-enoate bromide Traditional Name: (E)-3-[1-(3-acetoxypropyl)pyridin-1-ium-3-yl]acrylic acid methyl ester bromide Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18NO4.BrH/c1-12(16)19-10-4-9-15-8-3-5-13(11-15)6-7-14(17)18-2;/h3,5-8,11H,4,9-10H2,1-2H3;1H/q+1;/p-1/b7-6+;