2-ethyl-2-methyl-5-(4-methylphenyl)-6-oxidanidyl-8-(trifluoromethyl)-1,3-dihydropyrimido[1,2-a]quinoxalin-6-ium

Systemtic Name: 2-ethyl-2-methyl-5-(4-methylphenyl)-6-oxidanidyl-8-(trifluoromethyl)-1,3-dihydropyrimido[1,2-a]quinoxalin-6-ium Openeye Name: 2-ethyl-2-methyl-6-oxido-5-(p-tolyl)-8-(trifluoromethyl)-1,3-dihydropyrimido[1,2-a]quinoxalin-6-ium CAS Name: 2-ethyl-2-methyl-5-(4-methylphenyl)-6-oxido-8-(trifluoromethyl)-1,3-dihydropyrimido[1,2-a]quinoxalin-6-ium IUPAC Name: 2-ethyl-2-methyl-5-(4-methylphenyl)-6-oxido-8-(trifluoromethyl)-1,3-dihydropyrimido[1,2-a]quinoxalin-6-ium Traditional Name: 2-ethyl-2-methyl-6-oxido-5-(p-tolyl)-8-(trifluoromethyl)-1,3-dihydropyrimido[1,2-a]quinoxalin-6-ium Formula: C22H22F3N3O MolecularWeight: 401.42479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN=C2C(=[N+](C3=C(N2C1)C=CC(=C3)C(F)(F)F)[O-])C4=CC=C(C=C4)C)C

Isomeric SMILES

CCC1(CN=C2C(=[N+](C3=C(N2C1)C=CC(=C3)C(F)(F)F)[O-])C4=CC=C(C=C4)C)C

InChI

InChI=1S/C22H22F3N3O/c1-4-21(3)12-26-20-19(15-7-5-14(2)6-8-15)28(29)18-11-16(22(23,24)25)9-10-17(18)27(20)13-21/h5-11H,4,12-13H2,1-3H3