6-cyclohexyl-1,2-dimethyl-5-oxidanidyl-8-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium

Systemtic Name: 6-cyclohexyl-1,2-dimethyl-5-oxidanidyl-8-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 6-cyclohexyl-1,2-dimethyl-5-oxido-8-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 6-cyclohexyl-1,2-dimethyl-5-oxido-8-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 6-cyclohexyl-1,2-dimethyl-5-oxido-8-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 6-cyclohexyl-1,2-dimethyl-5-oxido-8-(trifluoromethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C20H22F3N3O MolecularWeight: 377.40339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=N1)C[N+](=C(C3=C2C=CC(=C3)C(F)(F)F)C4CCCCC4)[O-])C

Isomeric SMILES

CC1=C(N2C(=N1)C[N+](=C(C3=C2C=CC(=C3)C(F)(F)F)C4CCCCC4)[O-])C

InChI

InChI=1S/C20H22F3N3O/c1-12-13(2)26-17-9-8-15(20(21,22)23)10-16(17)19(14-6-4-3-5-7-14)25(27)11-18(26)24-12/h8-10,14H,3-7,11H2,1-2H3