4-(4-bromophenyl)-3-methyl-2-(trifluoromethyl)-1,3-oxazol-3-ium-5-amine; methanesulfonate

Systemtic Name: 4-(4-bromophenyl)-3-methyl-2-(trifluoromethyl)-1,3-oxazol-3-ium-5-amine; methanesulfonate Openeye Name: 4-(4-bromophenyl)-3-methyl-2-(trifluoromethyl)oxazol-3-ium-5-amine; methanesulfonate CAS Name: 4-(4-bromophenyl)-3-methyl-2-(trifluoromethyl)-5-oxazol-3-iumamine; methanesulfonate IUPAC Name: 4-(4-bromophenyl)-3-methyl-2-(trifluoromethyl)-1,3-oxazol-3-ium-5-amine; methanesulfonate Traditional Name: [4-(4-bromophenyl)-3-methyl-2-(trifluoromethyl)oxazol-3-ium-5-yl]amine mesylate Formula: C12H12BrF3N2O4S MolecularWeight: 417.19889

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(OC(=C1C2=CC=C(C=C2)Br)N)C(F)(F)F.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(OC(=C1C2=CC=C(C=C2)Br)N)C(F)(F)F.CS(=O)(=O)[O-]

InChI

InChI=1S/C11H9BrF3N2O.CH4O3S/c1-17-8(6-2-4-7(12)5-3-6)9(16)18-10(17)11(13,14)15;1-5(2,3)4/h2-5H,16H2,1H3;1H3,(H,2,3,4)/q+1;/p-1