3-[[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]propyl-dimethyl-ammonium CAS Name: 3-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]propyl-dimethylammonium IUPAC Name: 3-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]propyl-dimethylazanium Traditional Name: 3-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]propyl-dimethyl-ammonium Formula: C12H16ClF3N3O2+ MolecularWeight: 326.72255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C(C=C(C(=C1)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCNC1=C(C=C(C(=C1)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H15ClF3N3O2/c1-18(2)5-3-4-17-10-7-9(13)8(12(14,15)16)6-11(10)19(20)21/h6-7,17H,3-5H2,1-2H3/p+1