2-[2-methyl-8-phenylmethoxy-1-(phenylmethyl)imidazo[1,2-a]pyridin-4-ium-3-yl]ethanenitrile bromide

Systemtic Name: 2-[2-methyl-8-phenylmethoxy-1-(phenylmethyl)imidazo[1,2-a]pyridin-4-ium-3-yl]ethanenitrile bromide Openeye Name: 2-(1-benzyl-8-benzyloxy-2-methyl-imidazo[1,2-a]pyridin-4-ium-3-yl)acetonitrile bromide CAS Name: 2-[2-methyl-8-phenylmethoxy-1-(phenylmethyl)-3-imidazo[1,2-a]pyridin-4-iumyl]acetonitrile bromide IUPAC Name: 2-(1-benzyl-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-4-ium-3-yl)acetonitrile bromide Traditional Name: 2-(8-benzoxy-1-benzyl-2-methyl-imidazo[1,2-a]pyridin-4-ium-3-yl)acetonitrile bromide Formula: C24H22BrN3O MolecularWeight: 448.35498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+]2=CC=CC(=C2N1CC3=CC=CC=C3)OCC4=CC=CC=C4)CC#N.[Br-]

Isomeric SMILES

CC1=C([N+]2=CC=CC(=C2N1CC3=CC=CC=C3)OCC4=CC=CC=C4)CC#N.[Br-]

InChI

InChI=1S/C24H22N3O.BrH/c1-19-22(14-15-25)26-16-8-13-23(28-18-21-11-6-3-7-12-21)24(26)27(19)17-20-9-4-2-5-10-20;/h2-13,16H,14,17-18H2,1H3;1H/q+1;/p-1