4-(4-chlorophenyl)-3-methyl-2-(trifluoromethyl)-1,3-oxazol-3-ium-5-amine; hydrogen sulfate

Systemtic Name: 4-(4-chlorophenyl)-3-methyl-2-(trifluoromethyl)-1,3-oxazol-3-ium-5-amine; hydrogen sulfate Openeye Name: 4-(4-chlorophenyl)-3-methyl-2-(trifluoromethyl)oxazol-3-ium-5-amine; hydrogen sulfate CAS Name: 4-(4-chlorophenyl)-3-methyl-2-(trifluoromethyl)-5-oxazol-3-iumamine; hydrogen sulfate IUPAC Name: 4-(4-chlorophenyl)-3-methyl-2-(trifluoromethyl)-1,3-oxazol-3-ium-5-amine; hydrogen sulfate Traditional Name: [4-(4-chlorophenyl)-3-methyl-2-(trifluoromethyl)oxazol-3-ium-5-yl]amine bisulfate Formula: C11H10ClF3N2O5S MolecularWeight: 374.72071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9ClF3N2O.H2O4S/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;(H2,1,2,3,4)/q+1;/p-1