(C-azaniumylcarbonimidoyl)-[[4-(trifluoromethyl)phenyl]methyl]azanium sulfate

Systemtic Name: (C-azaniumylcarbonimidoyl)-[[4-(trifluoromethyl)phenyl]methyl]azanium sulfate Openeye Name: (azaniumylcarbonimidoyl)-[[4-(trifluoromethyl)phenyl]methyl]ammonium sulfate CAS Name: [ammonio(imino)methyl]-[[4-(trifluoromethyl)phenyl]methyl]ammonium sulfate IUPAC Name: (C-azaniumylcarbonimidoyl)-[[4-(trifluoromethyl)phenyl]methyl]azanium sulfate Traditional Name: (ammoniocarbonimidoyl)-[4-(trifluoromethyl)benzyl]ammonium sulfate Formula: C9H12F3N3O4S MolecularWeight: 315.26949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]C(=N)[NH3+])C(F)(F)F.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]C(=N)[NH3+])C(F)(F)F.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C9H10F3N3.H2O4S/c10-9(11,12)7-3-1-6(2-4-7)5-15-8(13)14;1-5(2,3)4/h1-4H,5H2,(H4,13,14,15);(H2,1,2,3,4)