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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(S1)NC2=CC=C(C=C2)Br)CC=C)C3=CC=C(C=C3)OC.[Br-]

Isomeric SMILES

CC1=C([N+](=C(S1)NC2=CC=C(C=C2)Br)CC=C)C3=CC=C(C=C3)OC.[Br-]

InChI

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