ethyl (Z)-2-cyano-3-(1-ethylpyridin-1-ium-3-yl)prop-2-enoate iodide

Systemtic Name: ethyl (Z)-2-cyano-3-(1-ethylpyridin-1-ium-3-yl)prop-2-enoate iodide Openeye Name: ethyl (Z)-2-cyano-3-(1-ethylpyridin-1-ium-3-yl)prop-2-enoate iodide CAS Name: (Z)-2-cyano-3-(1-ethyl-3-pyridin-1-iumyl)-2-propenoic acid ethyl ester iodide IUPAC Name: ethyl (Z)-2-cyano-3-(1-ethylpyridin-1-ium-3-yl)prop-2-enoate iodide Traditional Name: (Z)-2-cyano-3-(1-ethylpyridin-1-ium-3-yl)acrylic acid ethyl ester iodide Formula: C13H15IN2O2 MolecularWeight: 358.17487

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)C=C(C#N)C(=O)OCC.[I-]

Isomeric SMILES

CC[N+]1=CC=CC(=C1)/C=C(/C#N)\C(=O)OCC.[I-]

InChI

InChI=1S/C13H15N2O2.HI/c1-3-15-7-5-6-11(10-15)8-12(9-14)13(16)17-4-2;/h5-8,10H,3-4H2,1-2H3;1H/q+1;/p-1/b12-8-;