(Z)-[3,5-bis(azanyl)-1-methyl-pyrazol-1-ium-4-ylidene]-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]azanium

Systemtic Name: (Z)-[3,5-bis(azanyl)-1-methyl-pyrazol-1-ium-4-ylidene]-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]azanium Openeye Name: (Z)-[4-chloro-3-(trifluoromethyl)anilino]-(3,5-diamino-1-methyl-pyrazol-1-ium-4-ylidene)ammonium CAS Name: (Z)-[4-chloro-3-(trifluoromethyl)anilino]-(3,5-diamino-1-methyl-4-pyrazol-1-iumylidene)ammonium IUPAC Name: (Z)-[4-chloro-3-(trifluoromethyl)anilino]-(3,5-diamino-1-methylpyrazol-1-ium-4-ylidene)azanium Traditional Name: (Z)-[4-chloro-3-(trifluoromethyl)anilino]-(3,5-diamino-1-methyl-pyrazol-1-ium-4-ylidene)ammonium Formula: C11H12ClF3N6+2 MolecularWeight: 320.70139

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=[NH+]NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(=N1)N)N

Isomeric SMILES

C[N+]1=C(/C(=[NH+]\NC2=CC(=C(C=C2)Cl)C(F)(F)F)/C(=N1)N)N

InChI

InChI=1S/C11H10ClF3N6/c1-21-10(17)8(9(16)20-21)19-18-5-2-3-7(12)6(4-5)11(13,14)15/h2-4H,1H3,(H4,16,17,18,20)/p+2