3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(o-tolyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(o-tolyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide Formula: C22H25BrN2O3 MolecularWeight: 445.3495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC([N+]3=C2CCCC3)(C4=CC5=C(C=C4)OCCO5)O.[Br-]

Isomeric SMILES

CC1=CC=CC=C1N2CC([N+]3=C2CCCC3)(C4=CC5=C(C=C4)OCCO5)O.[Br-]

InChI

InChI=1S/C22H25N2O3.BrH/c1-16-6-2-3-7-18(16)23-15-22(25,24-11-5-4-8-21(23)24)17-9-10-19-20(14-17)27-13-12-26-19;/h2-3,6-7,9-10,14,25H,4-5,8,11-13,15H2,1H3;1H/q+1;/p-1