3-[4-[bis(fluoranyl)methoxy]phenyl]-1-(2-methylphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide

Systemtic Name: 3-[4-[bis(fluoranyl)methoxy]phenyl]-1-(2-methylphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Openeye Name: 3-[4-(difluoromethoxy)phenyl]-1-(o-tolyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide CAS Name: 3-[4-(difluoromethoxy)phenyl]-1-(2-methylphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide IUPAC Name: 3-[4-(difluoromethoxy)phenyl]-1-(2-methylphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Traditional Name: 3-[4-(difluoromethoxy)phenyl]-1-(o-tolyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Formula: C20H21BrF2N2O2S MolecularWeight: 471.358746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC([N+]3=C2SCCC3)(C4=CC=C(C=C4)OC(F)F)O.[Br-]

Isomeric SMILES

CC1=CC=CC=C1N2CC([N+]3=C2SCCC3)(C4=CC=C(C=C4)OC(F)F)O.[Br-]

InChI

InChI=1S/C20H21F2N2O2S.BrH/c1-14-5-2-3-6-17(14)23-13-20(25,24-11-4-12-27-19(23)24)15-7-9-16(10-8-15)26-18(21)22;/h2-3,5-10,18,25H,4,11-13H2,1H3;1H/q+1;/p-1