2-[4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[6,8-dimethyl-2-(trifluoromethyl)-4-quinazolinyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[6,8-dimethyl-2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-ium-1-yl]ethanol Formula: C17H22F3N4O+ MolecularWeight: 355.37799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CC[NH+](CC3)CCO)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CC[NH+](CC3)CCO)C

InChI

InChI=1S/C17H21F3N4O/c1-11-9-12(2)14-13(10-11)15(22-16(21-14)17(18,19)20)24-5-3-23(4-6-24)7-8-25/h9-10,25H,3-8H2,1-2H3/p+1