2-(1,2-dimethyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-4-ium-3-yl)ethanenitrile iodide

Systemtic Name: 2-(1,2-dimethyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-4-ium-3-yl)ethanenitrile iodide Openeye Name: 2-(8-benzyloxy-1,2-dimethyl-imidazo[1,2-a]pyridin-4-ium-3-yl)acetonitrile iodide CAS Name: 2-(1,2-dimethyl-8-phenylmethoxy-3-imidazo[1,2-a]pyridin-4-iumyl)acetonitrile iodide IUPAC Name: 2-(1,2-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-4-ium-3-yl)acetonitrile iodide Traditional Name: 2-(8-benzoxy-1,2-dimethyl-imidazo[1,2-a]pyridin-4-ium-3-yl)acetonitrile iodide Formula: C18H18IN3O MolecularWeight: 419.25949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+]2=CC=CC(=C2N1C)OCC3=CC=CC=C3)CC#N.[I-]

Isomeric SMILES

CC1=C([N+]2=CC=CC(=C2N1C)OCC3=CC=CC=C3)CC#N.[I-]

InChI

InChI=1S/C18H18N3O.HI/c1-14-16(10-11-19)21-12-6-9-17(18(21)20(14)2)22-13-15-7-4-3-5-8-15;/h3-9,12H,10,13H2,1-2H3;1H/q+1;/p-1