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

Systemtic Name: 1-(2,5-dimethoxyphenyl)-3-(2-fluoranyl-4-methoxy-phenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Openeye Name: 1-(2,5-dimethoxyphenyl)-3-(2-fluoro-4-methoxy-phenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide CAS Name: 1-(2,5-dimethoxyphenyl)-3-(2-fluoro-4-methoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide IUPAC Name: 1-(2,5-dimethoxyphenyl)-3-(2-fluoro-4-methoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Traditional Name: 1-(2,5-dimethoxyphenyl)-3-(2-fluoro-4-methoxy-phenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Formula: C21H24BrFN2O4S MolecularWeight: 499.393663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2CC([N+]3=C2SCCC3)(C4=C(C=C(C=C4)OC)F)O.[Br-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2CC([N+]3=C2SCCC3)(C4=C(C=C(C=C4)OC)F)O.[Br-]

InChI

InChI=1S/C21H24FN2O4S.BrH/c1-26-14-5-7-16(17(22)11-14)21(25)13-23(20-24(21)9-4-10-29-20)18-12-15(27-2)6-8-19(18)28-3;/h5-8,11-12,25H,4,9-10,13H2,1-3H3;1H/q+1;/p-1