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

Systemtic Name: 1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Openeye Name: 1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide CAS Name: 1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide IUPAC Name: 1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Traditional Name: 1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol bromide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N2O2S.BrH/c1-15-5-6-16(2)19(13-15)22-14-21(24,23-11-4-12-26-20(22)23)17-7-9-18(25-3)10-8-17;/h5-10,13,24H,4,11-12,14H2,1-3H3;1H/q+1;/p-1