2-[4-[(3-ethanoyl-2H-imidazol-1-yl)methyl]phenoxy]ethanenitrile iodide

Systemtic Name: 2-[4-[(3-ethanoyl-2H-imidazol-1-yl)methyl]phenoxy]ethanenitrile iodide Openeye Name: 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]acetonitrile iodide CAS Name: 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]acetonitrile iodide IUPAC Name: 2-[4-[(3-acetyl-2H-imidazol-1-yl)methyl]phenoxy]acetonitrile iodide Traditional Name: 2-[4-[(3-acetyl-4-imidazolin-1-yl)methyl]phenoxy]acetonitrile iodide Formula: C14H15IN3O2- MolecularWeight: 384.19227

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CN(C=C1)CC2=CC=C(C=C2)OCC#N.[I-]

Isomeric SMILES

CC(=O)N1CN(C=C1)CC2=CC=C(C=C2)OCC#N.[I-]

InChI

InChI=1S/C14H15N3O2.HI/c1-12(18)17-8-7-16(11-17)10-13-2-4-14(5-3-13)19-9-6-15;/h2-5,7-8H,9-11H2,1H3;1H/p-1