5-methyl-3-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]-1,2-oxazole

Systemtic Name: 5-methyl-3-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[[4-[2-(trifluoromethyl)-4-quinazolinyl]-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]methyl]isoxazole Formula: C18H19F3N5O+ MolecularWeight: 378.37157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C18H18F3N5O/c1-12-10-13(24-27-12)11-25-6-8-26(9-7-25)16-14-4-2-3-5-15(14)22-17(23-16)18(19,20)21/h2-5,10H,6-9,11H2,1H3/p+1