3-[4-[(E)-1-cyano-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]propanoic acid iodide

Systemtic Name: 3-[4-[(E)-1-cyano-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]propanoic acid iodide Openeye Name: 3-[4-[(E)-1-cyano-2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl]propanoic acid iodide CAS Name: 3-[4-[(E)-1-cyano-2-(4-dimethylaminophenyl)ethenyl]-1-pyridin-1-iumyl]propanoic acid iodide IUPAC Name: 3-[4-[(E)-1-cyano-2-(4-dimethylaminophenyl)ethenyl]pyridin-1-ium-1-yl]propanoic acid iodide Traditional Name: 3-[4-[(E)-1-cyano-2-(4-dimethylaminophenyl)vinyl]pyridin-1-ium-1-yl]propionic acid iodide Formula: C19H20IN3O2 MolecularWeight: 449.28547

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C2=CC=[N+](C=C2)CCC(=O)O.[I-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(/C#N)\C2=CC=[N+](C=C2)CCC(=O)O.[I-]

InChI

InChI=1S/C19H19N3O2.HI/c1-21(2)18-5-3-15(4-6-18)13-17(14-20)16-7-10-22(11-8-16)12-9-19(23)24;/h3-8,10-11,13H,9,12H2,1-2H3;1H