4-(4-methoxyphenyl)-N,3,5-triphenyl-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: 4-(4-methoxyphenyl)-N,3,5-triphenyl-1,3-thiazol-3-ium-2-amine bromide Openeye Name: 4-(4-methoxyphenyl)-N,3,5-triphenyl-thiazol-3-ium-2-amine bromide CAS Name: 4-(4-methoxyphenyl)-N,3,5-triphenyl-2-thiazol-3-iumamine bromide IUPAC Name: 4-(4-methoxyphenyl)-N,3,5-triphenyl-1,3-thiazol-3-ium-2-amine bromide Traditional Name: [4-(4-methoxyphenyl)-3,5-diphenyl-thiazol-3-ium-2-yl]-phenyl-amine bromide Formula: C28H23BrN2OS MolecularWeight: 515.46402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(SC(=[N+]2C3=CC=CC=C3)NC4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(SC(=[N+]2C3=CC=CC=C3)NC4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C28H22N2OS.BrH/c1-31-25-19-17-21(18-20-25)26-27(22-11-5-2-6-12-22)32-28(29-23-13-7-3-8-14-23)30(26)24-15-9-4-10-16-24;/h2-20H,1H3;1H