3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-N-prop-2-enyl-3H-1,3-thiazol-3-ium-2-imine bromide

Systemtic Name: 3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-N-prop-2-enyl-3H-1,3-thiazol-3-ium-2-imine bromide Openeye Name: N-allyl-3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-3H-thiazol-3-ium-2-imine bromide CAS Name: 3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-N-prop-2-enyl-3H-thiazol-3-ium-2-imine bromide IUPAC Name: 3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-N-prop-2-enyl-3H-1,3-thiazol-3-ium-2-imine bromide Traditional Name: allyl-[3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-4-thiazolin-3-ium-2-ylidene]amine bromide Formula: C20H20Br2N2OS MolecularWeight: 496.2586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+](C(=NCC=C)S1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC.[Br-]

Isomeric SMILES

CC1=C([NH+](C(=NCC=C)S1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC.[Br-]

InChI

InChI=1S/C20H19BrN2OS.BrH/c1-4-13-22-20-23(17-9-7-16(21)8-10-17)19(14(2)25-20)15-5-11-18(24-3)12-6-15;/h4-12H,1,13H2,2-3H3;1H