1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)propan-1-one bromide

Systemtic Name: 1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)propan-1-one bromide Openeye Name: 1-(4-bromophenyl)-2-(4,5-dimethylthiazol-3-ium-3-yl)propan-1-one bromide CAS Name: 1-(4-bromophenyl)-2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-propanone bromide IUPAC Name: 1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)propan-1-one bromide Traditional Name: 1-(4-bromophenyl)-2-(4,5-dimethylthiazol-3-ium-3-yl)propan-1-one bromide Formula: C14H15Br2NOS MolecularWeight: 405.148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1C(C)C(=O)C2=CC=C(C=C2)Br)C.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1C(C)C(=O)C2=CC=C(C=C2)Br)C.[Br-]

InChI

InChI=1S/C14H15BrNOS.BrH/c1-9-11(3)18-8-16(9)10(2)14(17)12-4-6-13(15)7-5-12;/h4-8,10H,1-3H3;1H/q+1;/p-1