3-[3,5-bis(trifluoromethyl)phenyl]-1,6-dimethyl-1-phenyl-2H-quinazoline-1,3-diium

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1,6-dimethyl-1-phenyl-2H-quinazoline-1,3-diium Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1,6-dimethyl-1-phenyl-2H-quinazoline-1,3-diium CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1,6-dimethyl-1-phenyl-2H-quinazoline-1,3-diium IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1,6-dimethyl-1-phenyl-2H-quinazoline-1,3-diium Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1,6-dimethyl-1-phenyl-2H-quinazoline-1,3-diium Formula: C24H20F6N2+2 MolecularWeight: 450.419419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C[N+](=C2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C[N+](=C2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)(C)C4=CC=CC=C4

InChI

InChI=1S/C24H20F6N2/c1-16-8-9-22-17(10-16)14-31(15-32(22,2)21-6-4-3-5-7-21)20-12-18(23(25,26)27)11-19(13-20)24(28,29)30/h3-14H,15H2,1-2H3/q+2