(4S)-6-tert-butyl-4-phenyl-4-(trifluoromethyl)-1,3-dihydro-1,3,5-triazin-5-ium-2-one

Systemtic Name: (4S)-6-tert-butyl-4-phenyl-4-(trifluoromethyl)-1,3-dihydro-1,3,5-triazin-5-ium-2-one Openeye Name: (4S)-6-tert-butyl-4-phenyl-4-(trifluoromethyl)-1,3-dihydro-1,3,5-triazin-5-ium-2-one CAS Name: (4S)-6-tert-butyl-4-phenyl-4-(trifluoromethyl)-1,3-dihydro-1,3,5-triazin-5-ium-2-one IUPAC Name: (4S)-6-tert-butyl-4-phenyl-4-(trifluoromethyl)-1,3-dihydro-1,3,5-triazin-5-ium-2-one Traditional Name: (4S)-6-tert-butyl-4-phenyl-4-(trifluoromethyl)-1,3-dihydro-s-triazin-5-ium-2-one Formula: C14H17F3N3O+ MolecularWeight: 300.29949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[NH+]C(NC(=O)N1)(C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=[NH+][C@@](NC(=O)N1)(C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C14H16F3N3O/c1-12(2,3)10-18-11(21)20-13(19-10,14(15,16)17)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,18,19,20,21)/p+1/t13-/m1/s1