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

Systemtic Name: 2-(1,2-dimethyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-4-ium-3-yl)ethanenitrile; methyl sulfate Openeye Name: 2-(8-benzyloxy-1,2-dimethyl-imidazo[1,2-a]pyridin-4-ium-3-yl)acetonitrile; methyl sulfate CAS Name: 2-(1,2-dimethyl-8-phenylmethoxy-3-imidazo[1,2-a]pyridin-4-iumyl)acetonitrile; methyl sulfate IUPAC Name: 2-(1,2-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-4-ium-3-yl)acetonitrile; methyl sulfate Traditional Name: 2-(8-benzoxy-1,2-dimethyl-imidazo[1,2-a]pyridin-4-ium-3-yl)acetonitrile; methyl sulfate Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N3O.CH4O4S/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;1-5-6(2,3)4/h3-9,12H,10,13H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1