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

Systemtic Name: 1-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Openeye Name: 1-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide CAS Name: 1-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide IUPAC Name: 1-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Traditional Name: 1-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Formula: C22H27BrN2O5S MolecularWeight: 511.42918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N2O5S.BrH/c1-26-16-7-9-18(27-2)17(13-16)23-14-22(25,24-10-5-11-30-21(23)24)15-6-8-19(28-3)20(12-15)29-4;/h6-9,12-13,25H,5,10-11,14H2,1-4H3;1H/q+1;/p-1