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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Openeye Name: 3-(3,4-dimethoxyphenyl)-1-(p-tolyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide CAS Name: 3-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Traditional Name: 3-(3,4-dimethoxyphenyl)-1-(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)N2CC([N+]3=C2SCCC3)(C4=CC(=C(C=C4)OC)OC)O.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)N2CC([N+]3=C2SCCC3)(C4=CC(=C(C=C4)OC)OC)O.[Br-]

InChI

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