1-(3-ethyl-1H-imidazol-2-ylidene)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium

Systemtic Name: 1-(3-ethyl-1H-imidazol-2-ylidene)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-(3-ethyl-1H-imidazol-2-ylidene)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-(3-ethyl-1H-imidazol-2-ylidene)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-(3-ethyl-1H-imidazol-2-ylidene)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-(1-ethyl-4-imidazolin-2-ylidene)-4-[3-(trifluoromethyl)benzyl]piperazin-1-ium Formula: C17H22F3N4+ MolecularWeight: 339.37859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CNC1=[N+]2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCN1C=CNC1=[N+]2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H21F3N4/c1-2-23-7-6-21-16(23)24-10-8-22(9-11-24)13-14-4-3-5-15(12-14)17(18,19)20/h3-7,12H,2,8-11,13H2,1H3/p+1