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

Systemtic Name: 1-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Openeye Name: 1-(2,5-dimethoxyphenyl)-3-(p-tolyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide CAS Name: 1-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide IUPAC Name: 1-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Traditional Name: 1-(2,5-dimethoxyphenyl)-3-(p-tolyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CN(C3=[N+]2CCCS3)C4=C(C=CC(=C4)OC)OC)O.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2(CN(C3=[N+]2CCCS3)C4=C(C=CC(=C4)OC)OC)O.[Br-]

InChI

InChI=1S/C21H25N2O3S.BrH/c1-15-5-7-16(8-6-15)21(24)14-22(20-23(21)11-4-12-27-20)18-13-17(25-2)9-10-19(18)26-3;/h5-10,13,24H,4,11-12,14H2,1-3H3;1H/q+1;/p-1