N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-[2-(trifluoromethyl)quinazolin-4-yl]amine Formula: C20H22F3N4O+ MolecularWeight: 391.41009

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CNC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C4=CC=CO4

InChI

InChI=1S/C20H21F3N4O/c21-20(22,23)19-25-15-8-3-2-7-14(15)18(26-19)24-13-16(17-9-6-12-28-17)27-10-4-1-5-11-27/h2-3,6-9,12,16H,1,4-5,10-11,13H2,(H,24,25,26)/p+1/t16-/m1/s1