N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-[2-(trifluoromethyl)quinazolin-4-yl]amine Formula: C19H20F3N4OS+ MolecularWeight: 409.44851

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C19H19F3N4OS/c20-19(21,22)18-24-14-5-2-1-4-13(14)17(25-18)23-12-15(16-6-3-11-28-16)26-7-9-27-10-8-26/h1-6,11,15H,7-10,12H2,(H,23,24,25)/p+1/t15-/m0/s1