[(3S)-5-[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]-3-cyano-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-5-[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]-3-cyano-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2S)-4-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridyl]-2-cyano-1-methylene-3-oxo-butyl]ammonium CAS Name: [(3S)-5-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-3-cyano-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3S)-5-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]-3-cyano-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-3-[3-chloro-2-keto-5-(trifluoromethyl)-1-pyridyl]-1-cyano-2-keto-propyl]vinylammonium Formula: C12H10ClF3N3O2+ MolecularWeight: 320.67491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)CN1C=C(C=C(C1=O)Cl)C(F)(F)F)[NH3+]

Isomeric SMILES

C=C([C@@H](C#N)C(=O)CN1C=C(C=C(C1=O)Cl)C(F)(F)F)[NH3+]

InChI

InChI=1S/C12H9ClF3N3O2/c1-6(18)8(3-17)10(20)5-19-4-7(12(14,15)16)2-9(13)11(19)21/h2,4,8H,1,5,18H2/p+1/t8-/m1/s1