ethyl (E)-3-(3-methyl-1-phenacyl-imidazol-1-ium-4-yl)prop-2-enoate iodide

Systemtic Name: ethyl (E)-3-(3-methyl-1-phenacyl-imidazol-1-ium-4-yl)prop-2-enoate iodide Openeye Name: ethyl (E)-3-(3-methyl-1-phenacyl-imidazol-1-ium-4-yl)prop-2-enoate iodide CAS Name: (E)-3-(3-methyl-1-phenacyl-4-imidazol-1-iumyl)-2-propenoic acid ethyl ester iodide IUPAC Name: ethyl (E)-3-(3-methyl-1-phenacylimidazol-1-ium-4-yl)prop-2-enoate iodide Traditional Name: (E)-3-(3-methyl-1-phenacyl-imidazol-1-ium-4-yl)acrylic acid ethyl ester iodide Formula: C17H19IN2O3 MolecularWeight: 426.24883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C[N+](=CN1C)CC(=O)C2=CC=CC=C2.[I-]

Isomeric SMILES

CCOC(=O)/C=C/C1=C[N+](=CN1C)CC(=O)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C17H19N2O3.HI/c1-3-22-17(21)10-9-15-11-19(13-18(15)2)12-16(20)14-7-5-4-6-8-14;/h4-11,13H,3,12H2,1-2H3;1H/q+1;/p-1/b10-9+;