2-(1-methylimidazol-1-ium-1-yl)ethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate chloride

Systemtic Name: 2-(1-methylimidazol-1-ium-1-yl)ethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate chloride Openeye Name: 2-(1-methylimidazol-1-ium-1-yl)ethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate chloride CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid 2-(1-methyl-1-imidazol-1-iumyl)ethyl ester chloride IUPAC Name: 2-(1-methylimidazol-1-ium-1-yl)ethyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate chloride Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid 2-(1-methylimidazol-1-ium-1-yl)ethyl ester chloride Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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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(C=CN=C2)C.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C18H21N4O2.ClH/c1-21(2)17-6-4-15(5-7-17)12-16(13-19)18(23)24-11-10-22(3)9-8-20-14-22;/h4-9,12,14H,10-11H2,1-3H3;1H/q+1;/p-1/b16-12+;