2-pyridin-1-ium-1-ylethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate chloride

Systemtic Name: 2-pyridin-1-ium-1-ylethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate chloride Openeye Name: 2-pyridin-1-ium-1-ylethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate chloride CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid 2-(1-pyridin-1-iumyl)ethyl ester chloride IUPAC Name: 2-pyridin-1-ium-1-ylethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate chloride Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid 2-pyridin-1-ium-1-ylethyl ester chloride Formula: C19H20ClN3O2 MolecularWeight: 357.834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC[N+]2=CC=CC=C2.[Cl-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC[N+]2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C19H20N3O2.ClH/c1-21(2)18-8-6-16(7-9-18)14-17(15-20)19(23)24-13-12-22-10-4-3-5-11-22;/h3-11,14H,12-13H2,1-2H3;1H/q+1;/p-1/b17-14+;